5FCJ

Structure of the anisomycin-containing uL3 W255C mutant 80S yeast ribosome

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.10 Å
  • R-Value Free: 0.291 
  • R-Value Work: 0.234 
  • R-Value Observed: 0.236 

Starting Model: experimental
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Literature

Crystal Structures of the uL3 Mutant Ribosome: Illustration of the Importance of Ribosomal Proteins for Translation Efficiency.

Mailliot, J., Garreau de Loubresse, N., Yusupova, G., Meskauskas, A., Dinman, J.D., Yusupov, M.

(2016) J Mol Biol 428: 2195-2202

  • DOI: https://doi.org/10.1016/j.jmb.2016.02.013
  • Primary Citation of Related Structures:  
    5FCI, 5FCJ

  • PubMed Abstract: 

    The ribosome has been described as a ribozyme in which ribosomal RNA is responsible for peptidyl-transferase reaction catalysis. The W255C mutation of the universally conserved ribosomal protein uL3 has diverse effects on ribosome function (e.g., increased affinities for transfer RNAs, decreased rates of peptidyl-transfer), and cells harboring this mutation are resistant to peptidyl-transferase inhibitors (e.g., anisomycin). These observations beg the question of how a single amino acid mutation may have such wide ranging consequences. Here, we report the structure of the vacant yeast uL3 W255C mutant ribosome by X-ray crystallography, showing a disruption of the A-site side of the peptidyl-transferase center (PTC). An additional X-ray crystallographic structure of the anisomycin-containing mutant ribosome shows that high concentrations of this inhibitor restore a "WT-like" configuration to this region of the PTC, providing insight into the resistance mechanism of the mutant. Globally, our data demonstrate that ribosomal protein uL3 is structurally essential to ensure an optimal and catalytically efficient organization of the PTC, highlighting the importance of proteins in the RNA-centered ribosome.

    • Organizational Affiliation: 

    Institut de Génétique et de Biologie Moléculaire et Cellulaire, CNRS UMR7104, INSERM U964, 1 rue Laurent Fries, 67404 Illkirch-Graffenstaden, France. Electronic address: [email protected].


Macromolecules

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Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S0-AB [auth S0],
CC [auth s0]		251Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 3
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S1-AC [auth S1],
DC [auth s1]		254Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 4
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S2D [auth S2],
EC [auth s2]		253Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 5
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S3E [auth S3],
FC [auth s3]		239Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 6
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S4-AF [auth S4],
GC [auth s4]		260Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S5G [auth S5],
HC [auth s5]		224Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S6-AH [auth S6],
IC [auth s6]		236Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S7-AI [auth S7],
JC [auth s7]		189Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S8-AJ [auth S8],
KC [auth s8]		200Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S9-AK [auth S9],
LC [auth s9]		196Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 12
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S10-A,40S ribosomal protein S10-A,40S ribosomal protein S10-A,40S ribosomal protein S10-AL [auth C0],
MC [auth c0]		96Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 13
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S11-A,40S ribosomal protein S11-A,40S ribosomal protein S11-A,40S ribosomal protein S11-A,40S ribosomal protein S11-A (uS17)M [auth C1],
NC [auth c1]		155Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S12N [auth C2],
OC [auth c2]		142Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S13O [auth C3],
PC [auth c3]		150Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S14-AP [auth C4],
QC [auth c4]		136Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 17
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S15Q [auth C5],
RC [auth c5]		141Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 18
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S16-AR [auth C6],
SC [auth c6]		142Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S17-AS [auth C7],
TC [auth c7]		136Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S18-AT [auth C8],
UC [auth c8]		145Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S19-AU [auth C9],
VC [auth c9]		143Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 22
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S20V [auth D0],
WC [auth d0]		120Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 23
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S21-AW [auth D1],
XC [auth d1]		87Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 24
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S22-AX [auth D2],
YC [auth d2]		129Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S23-AY [auth D3],
ZC [auth d3]		144Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S24-AAD [auth d4],
Z [auth D4]		134Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S25-AAA [auth D5],
BD [auth d5]		107Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S26-BBA [auth D6],
CD [auth d6]		97Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S27-ACA [auth D7],
DD [auth d7]		81Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 30
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S28-ADA [auth D8],
ED [auth d8]		66Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 31
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S29-AEA [auth D9],
FD [auth d9]		55Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 32
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S30-AFA [auth E0],
GD [auth e0]		62Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 33
MoleculeChains Sequence LengthOrganismDetailsImage
Ubiquitin-40S ribosomal protein S31GA [auth E1],
HD [auth e1]		76Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 34
MoleculeChains Sequence LengthOrganismDetailsImage
Guanine nucleotide-binding protein subunit beta-like proteinHA [auth SR],
ID [auth sR]		318Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 35
MoleculeChains Sequence LengthOrganismDetailsImage
Suppressor protein STM1,Suppressor protein STM1,Suppressor protein STM1,Suppressor protein STM1,Suppressor protein STM1IA [auth SM],
JD [auth sM]		182Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 39
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L2-AMA [auth L2],
ND [auth l2]		253Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 40
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L3NA [auth L3],
OD [auth l3]		386Saccharomyces cerevisiae S288CMutation(s): 1 
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Entity ID: 41
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L4-AOA [auth L4],
PD [auth l4]		361Saccharomyces cerevisiae S288CMutation(s): 0 
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MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L5PA [auth L5],
QD [auth l5]		296Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 43
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L6-AQA [auth L6],
RD [auth l6]		175Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 44
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L7-ARA [auth L7],
SD [auth l7]		243Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 45
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L8-ASA [auth L8],
TD [auth l8]		255Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 46
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L9-ATA [auth L9],
UD [auth l9]		191Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 47
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L10UA [auth M0],
VD [auth m0]		220Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 48
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L11-AVA [auth M1],
WD [auth m1]		173Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 49
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L13-AWA [auth M3],
YD [auth m3]		198Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 50
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L14-AXA [auth M4],
ZD [auth m4]		137Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 51
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L15-AAE [auth m5],
YA [auth M5]		203Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 52
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L16-ABE [auth m6],
ZA [auth M6]		198Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 53
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L17-AAB [auth M7],
CE [auth m7]		183Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 54
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L18-ABB [auth M8],
DE [auth m8]		185Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 55
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L19-ACB [auth M9],
EE [auth m9]		188Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 56
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L20-ADB [auth N0],
FE [auth n0]		172Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 57
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L21-AEB [auth N1],
GE [auth n1]		159Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 58
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L22-AFB [auth N2],
HE [auth n2]		120Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 59
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L23-AGB [auth N3],
IE [auth n3]		136Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 60
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L24-AHB [auth N4],
JE [auth n4]		155Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 61
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L25IB [auth N5],
KE [auth n5]		141Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 62
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L26-AJB [auth N6],
LE [auth n6]		126Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 63
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L27-AKB [auth N7],
ME [auth n7]		135Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 64
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L28LB [auth N8],
NE [auth n8]		148Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 65
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L29MB [auth N9],
OE [auth n9]		58Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 66
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L30NB [auth O0],
PE [auth o0]		104Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 67
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L31-AOB [auth O1],
QE [auth o1]		112Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 68
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L32PB [auth O2],
RE [auth o2]		129Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 69
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L33-AQB [auth O3],
SE [auth o3]		106Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 70
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L34-ARB [auth O4],
TE [auth o4]		120Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 71
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L35-ASB [auth O5],
UE [auth o5]		119Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 72
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L36-ATB [auth O6],
VE [auth o6]		99Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 73
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L37-AUB [auth O7],
WE [auth o7]		87Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 74
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L38VB [auth O8],
XE [auth o8]		77Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 75
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L39WB [auth O9],
YE [auth o9]		50Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 76
MoleculeChains Sequence LengthOrganismDetailsImage
Ubiquitin-60S ribosomal protein L40XB [auth Q0],
ZE [auth q0]		52Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 77
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L41-AAF [auth q1],
YB [auth Q1]		25Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 78
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L42-ABF [auth q2],
ZB [auth Q2]		105Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 79
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L43-AAC [auth Q3],
CF [auth q3]		91Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 80
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L12-A (uL11)XD [auth m2]150Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 81
MoleculeChains Sequence LengthOrganismDetailsImage
60S acidic ribosomal protein P0DF [auth p0]311Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 82
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein P1 alphaEF [auth p1]47Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 83
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein P2 betaFF [auth p2]46Saccharomyces cerevisiae S288CMutation(s): 0 
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Entity ID: 1
MoleculeChains LengthOrganismImage
18S ribosomal RNAA [auth 2],
BC [auth 6]		1,800Saccharomyces cerevisiae S288C
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Entity ID: 36
MoleculeChains LengthOrganismImage
25S ribosomal RNAJA [auth 1],
KD [auth 5]		3,396Saccharomyces cerevisiae S288C
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Entity ID: 37
MoleculeChains LengthOrganismImage
5S ribosomal RNAKA [auth 3],
LD [auth 7]		121Saccharomyces cerevisiae S288C
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Entity ID: 38
MoleculeChains LengthOrganismImage
5.8S ribosomal RNALA [auth 4],
MD [auth 8]		158Saccharomyces cerevisiae S288C
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Small Molecules
Ligands 4 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
OHX
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AAB [auth 6]
AAC [auth 5]
ABA [auth 1]
ACA [auth 1]
ACC [auth 7]
AAB [auth 6],
AAC [auth 5],
ABA [auth 1],
ACA [auth 1],
ACC [auth 7],
ADA [auth 1],
ADC [auth 8],
AEA [auth 1],
AFA [auth 1],
AFC [auth o7],
AGA [auth 1],
AHA [auth 1],
AIA [auth 1],
AJ [auth 2],
AJA [auth 1],
AK [auth 2],
AKA [auth 1],
AL [auth 2],
ALA [auth 1],
AM [auth 2],
AMA [auth 1],
AN [auth 2],
APB [auth 5],
AQB [auth 5],
ARB [auth 5],
ASB [auth 5],
ATB [auth 5],
AUB [auth 5],
AVA [auth 6],
AVB [auth 5],
AWA [auth 6],
AWB [auth 5],
AXA [auth 6],
AXB [auth 5],
AYA [auth 6],
AYB [auth 5],
AZA [auth 6],
AZB [auth 5],
BAB [auth 6],
BAC [auth 5],
BBA [auth 1],
BCA [auth 1],
BCC [auth 7],
BDA [auth 1],
BDC [auth 8],
BEA [auth 1],
BFA [auth 1],
BFC [auth o9],
BGA [auth 1],
BHA [auth 1],
BIA [auth 1],
BJ [auth 2],
BJA [auth 1],
BK [auth 2],
BKA [auth 1],
BL [auth 2],
BLA [auth 1],
BM [auth 2],
BMA [auth 1],
BN [auth 2],
BO [auth D9],
BPA [auth L3],
BPB [auth 5],
BQA [auth O3],
BQB [auth 5],
BRB [auth 5],
BSB [auth 5],
BTB [auth 5],
BUB [auth 5],
BVA [auth 6],
BVB [auth 5],
BWA [auth 6],
BWB [auth 5],
BXA [auth 6],
BXB [auth 5],
BYA [auth 6],
BYB [auth 5],
BZA [auth 6],
BZB [auth 5],
CAB [auth 6],
CAC [auth 5],
CBA [auth 1],
CCA [auth 1],
CCC [auth 7],
CDA [auth 1],
CEA [auth 1],
CFA [auth 1],
CGA [auth 1],
CHA [auth 1],
CIA [auth 1],
CJ [auth 2],
CJA [auth 1],
CK [auth 2],
CKA [auth 1],
CL [auth 2],
CLA [auth 1],
CM [auth 2],
CMA [auth 1],
CN [auth 2],
CPA [auth L3],
CPB [auth 5],
CQB [auth 5],
CRB [auth 5],
CSB [auth 5],
CTB [auth 5],
CUB [auth 5],
CVA [auth 6],
CVB [auth 5],
CWA [auth 6],
CWB [auth 5],
CXA [auth 6],
CXB [auth 5],
CYA [auth 6],
CYB [auth 5],
CZA [auth 6],
CZB [auth 5],
DAB [auth 6],
DAC [auth 5],
DBA [auth 1],
DBB [auth sR],
DCA [auth 1],
DDA [auth 1],
DEA [auth 1],
DEC [auth m5],
DFA [auth 1],
DGA [auth 1],
DHA [auth 1],
DIA [auth 1],
DJ [auth 2],
DJA [auth 1],
DK [auth 2],
DKA [auth 1],
DL [auth 2],
DLA [auth 1],
DM [auth 2],
DMA [auth 1],
DN [auth 2],
DO [auth SR],
DPA [auth L4],
DPB [auth 5],
DQB [auth 5],
DRB [auth 5],
DSB [auth 5],
DTB [auth 5],
DUB [auth 5],
DVA [auth 6],
DVB [auth 5],
DWA [auth 6],
DWB [auth 5],
DXA [auth 6],
DXB [auth 5],
DYA [auth 6],
DYB [auth 5],
DZA [auth 6],
DZB [auth 5],
EAB [auth 6],
EAC [auth 5],
EBA [auth 1],
ECA [auth 1],
EDA [auth 1],
EEA [auth 1],
EEC [auth m5],
EFA [auth 1],
EGA [auth 1],
EHA [auth 1],
EIA [auth 1],
EJ [auth 2],
EJA [auth 1],
EK [auth 2],
EKA [auth 1],
EL [auth 2],
ELA [auth 1],
EM [auth 2],
EMA [auth 1],
EN [auth 2],
EPB [auth 5],
EQB [auth 5],
ERB [auth 5],
ESB [auth 5],
ETB [auth 5],
EUB [auth 5],
EVA [auth 6],
EVB [auth 5],
EWA [auth 6],
EWB [auth 5],
EXA [auth 6],
EXB [auth 5],
EYA [auth 6],
EYB [auth 5],
EZA [auth 6],
EZB [auth 5],
FAB [auth 6],
FAC [auth 5],
FBA [auth 1],
FCA [auth 1],
FDA [auth 1],
FEA [auth 1],
FFA [auth 1],
FGA [auth 1],
FHA [auth 1],
FIA [auth 1],
FJ [auth 2],
FJA [auth 1],
FK [auth 2],
FKA [auth 1],
FL [auth 2],
FLA [auth 1],
FM [auth 2],
FMA [auth 1],
FN [auth 2],
FPB [auth 5],
FQB [auth 5],
FRB [auth 5],
FSB [auth 5],
FTB [auth 5],
FUB [auth 5],
FVA [auth 6],
FVB [auth 5],
FWA [auth 6],
FWB [auth 5],
FXA [auth 6],
FXB [auth 5],
FYA [auth 6],
FYB [auth 5],
FZA [auth 6],
FZB [auth 5],
GAB [auth 6],
GAC [auth 5],
GBA [auth 1],
GCA [auth 1],
GDA [auth 1],
GEA [auth 1],
GFA [auth 1],
GFC [auth q2],
GGA [auth 1],
GHA [auth 1],
GIA [auth 1],
GJ [auth 2],
GJA [auth 1],
GK [auth 2],
GKA [auth 1],
GL [auth 2],
GLA [auth 1],
GM [auth 2],
GMA [auth 1],
GN [auth 2],
GPB [auth 5],
GQB [auth 5],
GRB [auth 5],
GSB [auth 5],
GTB [auth 5],
GUB [auth 5],
GVA [auth 6],
GVB [auth 5],
GWA [auth 6],
GWB [auth 5],
GXA [auth 6],
GXB [auth 5],
GYA [auth 6],
GYB [auth 5],
GZA [auth 6],
GZB [auth 5],
HAB [auth 6],
HAC [auth 5],
HBA [auth 1],
HCA [auth 1],
HDA [auth 1],
HEA [auth 1],
HFA [auth 1],
HGA [auth 1],
HHA [auth 1],
HIA [auth 1],
HJ [auth 2],
HJA [auth 1],
HK [auth 2],
HKA [auth 1],
HL [auth 2],
HLA [auth 1],
HM [auth 2],
HMA [auth 1],
HN [auth 2],
HOA [auth 4],
HPA [auth M0],
HPB [auth 5],
HQA [auth O7],
HQB [auth 5],
HRB [auth 5],
HSB [auth 5],
HTB [auth 5],
HUB [auth 5],
HVA [auth 6],
HVB [auth 5],
HWA [auth 6],
HWB [auth 5],
HXA [auth 6],
HXB [auth 5],
HYA [auth 6],
HYB [auth 5],
HZA [auth 6],
HZB [auth 5],
IAB [auth 6],
IAC [auth 5],
IBA [auth 1],
ICA [auth 1],
IDA [auth 1],
IEA [auth 1],
IFA [auth 1],
IGA [auth 1],
IHA [auth 1],
IIA [auth 1],
IJ [auth 2],
IJA [auth 1],
IK [auth 2],
IKA [auth 1],
IL [auth 2],
ILA [auth 1],
IM [auth 2],
IMA [auth 1],
IN [auth 2],
INA [auth 3],
IOA [auth 4],
IPB [auth 5],
IQA [auth O7],
IQB [auth 5],
IRB [auth 5],
ISB [auth 5],
ITB [auth 5],
IUB [auth 5],
IVA [auth 6],
IVB [auth 5],
IWA [auth 6],
IWB [auth 5],
IXA [auth 6],
IXB [auth 5],
IYA [auth 6],
IYB [auth 5],
IZA [auth 6],
IZB [auth 5],
JAB [auth 6],
JAC [auth 5],
JBA [auth 1],
JCA [auth 1],
JDA [auth 1],
JEA [auth 1],
JEC [auth m7],
JFA [auth 1],
JGA [auth 1],
JHA [auth 1],
JIA [auth 1],
JJ [auth 2],
JJA [auth 1],
JK [auth 2],
JKA [auth 1],
JL [auth 2],
JLA [auth 1],
JM [auth 2],
JMA [auth 1],
JN [auth 2],
JNA [auth 3],
JOA [auth 4],
JOB [auth 5],
JPB [auth 5],
JQA [auth O9],
JQB [auth 5],
JRB [auth 5],
JSB [auth 5],
JTB [auth 5],
JUB [auth 5],
JVA [auth 6],
JVB [auth 5],
JWA [auth 6],
JWB [auth 5],
JXA [auth 6],
JXB [auth 5],
JYA [auth 6],
JYB [auth 5],
JZA [auth 6],
JZB [auth 5],
KAB [auth 6],
KAC [auth 5],
KBA [auth 1],
KCA [auth 1],
KDA [auth 1],
KDC [auth l3],
KEA [auth 1],
KFA [auth 1],
KGA [auth 1],
KHA [auth 1],
KI [auth 2],
KIA [auth 1],
KJ [auth 2],
KJA [auth 1],
KK [auth 2],
KKA [auth 1],
KL [auth 2],
KLA [auth 1],
KM [auth 2],
KMA [auth 1],
KN [auth 2],
KNA [auth 3],
KOA [auth 4],
KOB [auth 5],
KPA [auth M5],
KPB [auth 5],
KQB [auth 5],
KRB [auth 5],
KSB [auth 5],
KTB [auth 5],
KUB [auth 5],
KVA [auth 6],
KVB [auth 5],
KWA [auth 6],
KWB [auth 5],
KXA [auth 6],
KXB [auth 5],
KYA [auth 6],
KYB [auth 5],
KZA [auth 6],
KZB [auth 5],
LAB [auth 6],
LAC [auth 5],
LBA [auth 1],
LCA [auth 1],
LDA [auth 1],
LDC [auth l3],
LEA [auth 1],
LFA [auth 1],
LGA [auth 1],
LHA [auth 1],
LI [auth 2],
LIA [auth 1],
LJ [auth 2],
LJA [auth 1],
LK [auth 2],
LKA [auth 1],
LL [auth 2],
LLA [auth 1],
LM [auth 2],
LMA [auth 1],
LN [auth 2],
LNA [auth 3],
LOA [auth 4],
LOB [auth 5],
LPB [auth 5],
LQB [auth 5],
LRB [auth 5],
LSB [auth 5],
LTB [auth 5],
LUB [auth 5],
LVA [auth 6],
LVB [auth 5],
LWA [auth 6],
LWB [auth 5],
LXA [auth 6],
LXB [auth 5],
LYA [auth 6],
LYB [auth 5],
LZA [auth 6],
LZB [auth 5],
MAB [auth 6],
MAC [auth 5],
MBA [auth 1],
MCA [auth 1],
MDA [auth 1],
MDC [auth l3],
MEA [auth 1],
MFA [auth 1],
MGA [auth 1],
MHA [auth 1],
MI [auth 2],
MIA [auth 1],
MJ [auth 2],
MJA [auth 1],
MK [auth 2],
MKA [auth 1],
ML [auth 2],
MLA [auth 1],
MM [auth 2],
MMA [auth 1],
MN [auth 2],
MNA [auth 3],
MOA [auth 4],
MOB [auth 5],
MPA [auth M6],
MPB [auth 5],
MQB [auth 5],
MRB [auth 5],
MSB [auth 5],
MTB [auth 5],
MUB [auth 5],
MVA [auth 6],
MVB [auth 5],
MWA [auth 6],
MWB [auth 5],
MXA [auth 6],
MXB [auth 5],
MYA [auth 6],
MYB [auth 5],
MZA [auth 6],
MZB [auth 5],
NAC [auth 5],
NBA [auth 1],
NCA [auth 1],
NCC [auth 8],
NDA [auth 1],
NDC [auth l4],
NEA [auth 1],
NEC [auth n3],
NFA [auth 1],
NGA [auth 1],
NHA [auth 1],
NI [auth 2],
NIA [auth 1],
NJ [auth 2],
NJA [auth 1],
NK [auth 2],
NKA [auth 1],
NL [auth 2],
NLA [auth 1],
NM [auth 2],
NMA [auth 1],
NN [auth 2],
NNA [auth 3],
NOA [auth 4],
NOB [auth 5],
NPB [auth 5],
NQA [auth Q2],
NQB [auth 5],
NRB [auth 5],
NSB [auth 5],
NTB [auth 5],
NUB [auth 5],
NVA [auth 6],
NVB [auth 5],
NWA [auth 6],
NWB [auth 5],
NXA [auth 6],
NXB [auth 5],
NYA [auth 6],
NYB [auth 5],
NZA [auth 6],
NZB [auth 5],
OAC [auth 5],
OBA [auth 1],
OCA [auth 1],
OCC [auth 8],
ODA [auth 1],
ODC [auth l4],
OEA [auth 1],
OEC [auth n3],
OFA [auth 1],
OGA [auth 1],
OHA [auth 1],
OI [auth 2],
OIA [auth 1],
OJ [auth 2],
OJA [auth 1],
OK [auth 2],
OKA [auth 1],
OL [auth 2],
OLA [auth 1],
OM [auth 2],
OMA [auth 1],
ON [auth 2],
ONA [auth 3],
OOA [auth 4],
OOB [auth 5],
OPB [auth 5],
OQB [auth 5],
ORB [auth 5],
OSB [auth 5],
OTB [auth 5],
OUB [auth 5],
OVA [auth 6],
OVB [auth 5],
OWA [auth 6],
OWB [auth 5],
OXA [auth 6],
OXB [auth 5],
OYA [auth 6],
OYB [auth 5],
OZA [auth 6],
OZB [auth 5],
PAB [auth s4],
PAC [auth 5],
PBA [auth 1],
PCA [auth 1],
PCC [auth 8],
PDA [auth 1],
PDC [auth l5],
PEA [auth 1],
PFA [auth 1],
PGA [auth 1],
PHA [auth 1],
PI [auth 2],
PIA [auth 1],
PJ [auth 2],
PJA [auth 1],
PK [auth 2],
PKA [auth 1],
PL [auth 2],
PLA [auth 1],
PM [auth 2],
PMA [auth 1],
PN [auth 2],
PNA [auth 3],
POA [auth 4],
POB [auth 5],
PPB [auth 5],
PQB [auth 5],
PRB [auth 5],
PSB [auth 5],
PTB [auth 5],
PUB [auth 5],
PVA [auth 6],
PVB [auth 5],
PWA [auth 6],
PWB [auth 5],
PXA [auth 6],
PXB [auth 5],
PYA [auth 6],
PYB [auth 5],
PZA [auth 6],
PZB [auth 5],
QAC [auth 5],
QBA [auth 1],
QCA [auth 1],
QCC [auth 8],
QDA [auth 1],
QDC [auth l5],
QEA [auth 1],
QFA [auth 1],
QGA [auth 1],
QHA [auth 1],
QI [auth 2],
QIA [auth 1],
QJ [auth 2],
QJA [auth 1],
QK [auth 2],
QKA [auth 1],
QL [auth 2],
QLA [auth 1],
QM [auth 2],
QMA [auth 1],
QN [auth 2],
QNA [auth 3],
QOA [auth 4],
QOB [auth 5],
QPB [auth 5],
QQB [auth 5],
QRB [auth 5],
QSB [auth 5],
QTB [auth 5],
QUB [auth 5],
QVA [auth 6],
QVB [auth 5],
QWA [auth 6],
QWB [auth 5],
QXA [auth 6],
QXB [auth 5],
QYA [auth 6],
QYB [auth 5],
QZA [auth 6],
QZB [auth 5],
RAB [auth s8],
RAC [auth 5],
RBA [auth 1],
RCA [auth 1],
RCC [auth 8],
RDA [auth 1],
REA [auth 1],
RFA [auth 1],
RGA [auth 1],
RHA [auth 1],
RI [auth 2],
RIA [auth 1],
RJ [auth 2],
RJA [auth 1],
RK [auth 2],
RKA [auth 1],
RL [auth 2],
RLA [auth 1],
RM [auth 2],
RMA [auth 1],
RNA [auth 3],
ROA [auth 4],
ROB [auth 5],
RPA [auth M7],
RPB [auth 5],
RQB [auth 5],
RRB [auth 5],
RSB [auth 5],
RTB [auth 5],
RUB [auth 5],
RVA [auth 6],
RVB [auth 5],
RWA [auth 6],
RWB [auth 5],
RXA [auth 6],
RXB [auth 5],
RYA [auth 6],
RYB [auth 5],
RZA [auth 6],
RZB [auth 5],
SAA [auth 1],
SAB [auth s9],
SAC [auth 5],
SBA [auth 1],
SBC [auth 7],
SCA [auth 1],
SCC [auth 8],
SDA [auth 1],
SEA [auth 1],
SFA [auth 1],
SGA [auth 1],
SHA [auth 1],
SI [auth 2],
SIA [auth 1],
SJ [auth 2],
SJA [auth 1],
SK [auth 2],
SKA [auth 1],
SL [auth 2],
SLA [auth 1],
SM [auth 2],
SMA [auth 1],
SN [auth S6],
SOA [auth 4],
SOB [auth 5],
SPA [auth M9],
SPB [auth 5],
SQB [auth 5],
SRB [auth 5],
SSB [auth 5],
STB [auth 5],
SUB [auth 5],
SVA [auth 6],
SVB [auth 5],
SWA [auth 6],
SWB [auth 5],
SXA [auth 6],
SXB [auth 5],
SYA [auth 6],
SYB [auth 5],
SZA [auth 6],
SZB [auth 5],
TAA [auth 1],
TAC [auth 5],
TBA [auth 1],
TBC [auth 7],
TCA [auth 1],
TCC [auth 8],
TDA [auth 1],
TEA [auth 1],
TFA [auth 1],
TGA [auth 1],
THA [auth 1],
TI [auth 2],
TIA [auth 1],
TJ [auth 2],
TJA [auth 1],
TK [auth 2],
TKA [auth 1],
TL [auth 2],
TLA [auth 1],
TM [auth 2],
TN [auth S8],
TOA [auth 4],
TOB [auth 5],
TPA [auth N1],
TPB [auth 5],
TQB [auth 5],
TRB [auth 5],
TSB [auth 5],
TTB [auth 5],
TUA [auth 6],
TUB [auth 5],
TVA [auth 6],
TVB [auth 5],
TWA [auth 6],
TWB [auth 5],
TXA [auth 6],
TXB [auth 5],
TYA [auth 6],
TYB [auth 5],
TZA [auth 6],
TZB [auth 5],
UAA [auth 1],
UAB [auth c3],
UAC [auth 5],
UBA [auth 1],
UBC [auth 7],
UCA [auth 1],
UCC [auth 8],
UDA [auth 1],
UEA [auth 1],
UEC [auth n9],
UFA [auth 1],
UGA [auth 1],
UHA [auth 1],
UI [auth 2],
UIA [auth 1],
UJ [auth 2],
UJA [auth 1],
UK [auth 2],
UKA [auth 1],
UL [auth 2],
ULA [auth 1],
UM [auth 2],
UN [auth C3],
UOA [auth 4],
UOB [auth 5],
UPB [auth 5],
UQB [auth 5],
URB [auth 5],
USB [auth 5],
UTB [auth 5],
UUA [auth 6],
UUB [auth 5],
UVA [auth 6],
UVB [auth 5],
UWA [auth 6],
UWB [auth 5],
UXA [auth 6],
UXB [auth 5],
UYA [auth 6],
UYB [auth 5],
UZA [auth 6],
UZB [auth 5],
VAA [auth 1],
VAB [auth c5],
VAC [auth 5],
VBA [auth 1],
VBC [auth 7],
VCA [auth 1],
VCC [auth 8],
VDA [auth 1],
VDC [auth l9],
VEA [auth 1],
VFA [auth 1],
VGA [auth 1],
VHA [auth 1],
VI [auth 2],
VIA [auth 1],
VJ [auth 2],
VJA [auth 1],
VK [auth 2],
VKA [auth 1],
VL [auth 2],
VLA [auth 1],
VM [auth 2],
VN [auth C5],
VOA [auth 4],
VOB [auth 5],
VPB [auth 5],
VQB [auth 5],
VRB [auth 5],
VSB [auth 5],
VTB [auth 5],
VUA [auth 6],
VUB [auth 5],
VVA [auth 6],
VVB [auth 5],
VWA [auth 6],
VWB [auth 5],
VXA [auth 6],
VXB [auth 5],
VYA [auth 6],
VYB [auth 5],
VZA [auth 6],
VZB [auth 5],
WAA [auth 1],
WAB [auth c8],
WAC [auth 5],
WBA [auth 1],
WBC [auth 7],
WCA [auth 1],
WCC [auth 8],
WDA [auth 1],
WDC [auth m0],
WEA [auth 1],
WFA [auth 1],
WGA [auth 1],
WHA [auth 1],
WI [auth 2],
WIA [auth 1],
WJ [auth 2],
WJA [auth 1],
WK [auth 2],
WKA [auth 1],
WL [auth 2],
WLA [auth 1],
WM [auth 2],
WN [auth C8],
WOA [auth 4],
WOB [auth 5],
WPB [auth 5],
WQB [auth 5],
WRB [auth 5],
WSB [auth 5],
WTB [auth 5],
WUA [auth 6],
WUB [auth 5],
WVA [auth 6],
WVB [auth 5],
WWA [auth 6],
WWB [auth 5],
WXA [auth 6],
WXB [auth 5],
WYA [auth 6],
WYB [auth 5],
WZA [auth 6],
WZB [auth 5],
XAA [auth 1],
XAB [auth d4],
XAC [auth 5],
XBA [auth 1],
XBC [auth 7],
XCA [auth 1],
XCC [auth 8],
XDA [auth 1],
XDC [auth m0],
XEA [auth 1],
XEC [auth o3],
XFA [auth 1],
XGA [auth 1],
XHA [auth 1],
XI [auth 2],
XIA [auth 1],
XJ [auth 2],
XJA [auth 1],
XK [auth 2],
XKA [auth 1],
XL [auth 2],
XLA [auth 1],
XM [auth 2],
XOA [auth 4],
XOB [auth 5],
XPA [auth N8],
XPB [auth 5],
XQB [auth 5],
XRB [auth 5],
XSB [auth 5],
XTB [auth 5],
XUA [auth 6],
XUB [auth 5],
XVA [auth 6],
XVB [auth 5],
XWA [auth 6],
XWB [auth 5],
XXA [auth 6],
XXB [auth 5],
XYA [auth 6],
XYB [auth 5],
XZA [auth 6],
XZB [auth 5],
YAA [auth 1],
YAC [auth 5],
YBA [auth 1],
YBC [auth 7],
YCA [auth 1],
YCC [auth 8],
YDA [auth 1],
YEA [auth 1],
YFA [auth 1],
YGA [auth 1],
YHA [auth 1],
YI [auth 2],
YIA [auth 1],
YJ [auth 2],
YJA [auth 1],
YK [auth 2],
YKA [auth 1],
YL [auth 2],
YLA [auth 1],
YM [auth 2],
YOB [auth 5],
YPA [auth N9],
YPB [auth 5],
YQB [auth 5],
YRB [auth 5],
YSB [auth 5],
YTB [auth 5],
YUA [auth 6],
YUB [auth 5],
YVA [auth 6],
YVB [auth 5],
YWA [auth 6],
YWB [auth 5],
YXA [auth 6],
YXB [auth 5],
YYA [auth 6],
YYB [auth 5],
YZA [auth 6],
YZB [auth 5],
ZAA [auth 1],
ZAC [auth 5],
ZBA [auth 1],
ZBC [auth 7],
ZCA [auth 1],
ZCC [auth 8],
ZDA [auth 1],
ZDC [auth m1],
ZEA [auth 1],
ZFA [auth 1],
ZGA [auth 1],
ZHA [auth 1],
ZI [auth 2],
ZIA [auth 1],
ZJ [auth 2],
ZJA [auth 1],
ZK [auth 2],
ZKA [auth 1],
ZL [auth 2],
ZLA [auth 1],
ZM [auth 2],
ZOB [auth 5],
ZPB [auth 5],
ZQB [auth 5],
ZRB [auth 5],
ZSB [auth 5],
ZTB [auth 5],
ZUA [auth 6],
ZUB [auth 5],
ZVA [auth 6],
ZVB [auth 5],
ZWA [auth 6],
ZWB [auth 5],
ZXA [auth 6],
ZXB [auth 5],
ZYA [auth 6],
ZYB [auth 5],
ZZA [auth 6],
ZZB [auth 5]
osmium (III) hexammine
H12 N6 Os
OWCQTVJQFLTQTE-UHFFFAOYSA-N
ANM
Query on ANM
Download Ideal Coordinates CCD File 
FO [auth 1]ANISOMYCIN
C14 H19 N O4
YKJYKKNCCRKFSL-RDBSUJKOSA-N
ZN
Query on ZN
Download Ideal Coordinates CCD File 
ABB [auth d7]
BBB [auth d9]
CBB [auth e1]
CFC [auth q0]
CO [auth E1]
ABB [auth d7],
BBB [auth d9],
CBB [auth e1],
CFC [auth q0],
CO [auth E1],
EQA [auth O7],
FFC [auth q2],
HFC [auth q3],
KQA [auth Q0],
LQA [auth Q2],
OQA [auth Q3],
XN [auth D6],
YAB [auth d6],
YN [auth D7],
ZEC [auth o7],
ZN [auth D9]
ZINC ION
Zn
PTFCDOFLOPIGGS-UHFFFAOYSA-N
MG
Query on MG
Download Ideal Coordinates CCD File 
AAA [auth 1]
ABC [auth 5]
ACB [auth 5]
ADB [auth 5]
AEB [auth 5]
AAA [auth 1],
ABC [auth 5],
ACB [auth 5],
ADB [auth 5],
AEB [auth 5],
AEC [auth m5],
AFB [auth 5],
AG [auth 2],
AGB [auth 5],
AH [auth 2],
AHB [auth 5],
AI [auth 2],
AIB [auth 5],
AJB [auth 5],
AKB [auth 5],
ALB [auth 5],
AMB [auth 5],
ANA [auth 3],
ANB [auth 5],
AO [auth D9],
AOA [auth 4],
AOB [auth 5],
AP [auth 1],
APA [auth L3],
AQ [auth 1],
AQA [auth O3],
AR [auth 1],
ARA [auth 6],
AS [auth 1],
ASA [auth 6],
AT [auth 1],
ATA [auth 6],
AU [auth 1],
AUA [auth 6],
AV [auth 1],
AW [auth 1],
AX [auth 1],
AY [auth 1],
AZ [auth 1],
BAA [auth 1],
BBC [auth 5],
BCB [auth 5],
BDB [auth 5],
BEB [auth 5],
BEC [auth m5],
BFB [auth 5],
BG [auth 2],
BGB [auth 5],
BH [auth 2],
BHB [auth 5],
BI [auth 2],
BIB [auth 5],
BJB [auth 5],
BKB [auth 5],
BLB [auth 5],
BMB [auth 5],
BNA [auth 3],
BNB [auth 5],
BOA [auth 4],
BOB [auth 5],
BP [auth 1],
BQ [auth 1],
BR [auth 1],
BRA [auth 6],
BS [auth 1],
BSA [auth 6],
BT [auth 1],
BTA [auth 6],
BU [auth 1],
BUA [auth 6],
BV [auth 1],
BW [auth 1],
BX [auth 1],
BY [auth 1],
BZ [auth 1],
CAA [auth 1],
CBC [auth 5],
CCB [auth 5],
CDB [auth 5],
CDC [auth l2],
CEB [auth 5],
CEC [auth m5],
CFB [auth 5],
CG [auth 2],
CGB [auth 5],
CH [auth 2],
CHB [auth 5],
CI [auth 2],
CIB [auth 5],
CJB [auth 5],
CKB [auth 5],
CLB [auth 5],
CMB [auth 5],
CNA [auth 3],
CNB [auth 5],
COA [auth 4],
COB [auth 5],
CP [auth 1],
CQ [auth 1],
CQA [auth O4],
CR [auth 1],
CRA [auth 6],
CS [auth 1],
CSA [auth 6],
CT [auth 1],
CTA [auth 6],
CU [auth 1],
CUA [auth 6],
CV [auth 1],
CW [auth 1],
CX [auth 1],
CY [auth 1],
CZ [auth 1],
DAA [auth 1],
DBC [auth 5],
DCB [auth 5],
DCC [auth 8],
DDB [auth 5],
DDC [auth l2],
DEB [auth 5],
DFB [auth 5],
DFC [auth q0],
DG [auth 2],
DGB [auth 5],
DH [auth 2],
DHB [auth 5],
DI [auth 2],
DIB [auth 5],
DJB [auth 5],
DKB [auth 5],
DLB [auth 5],
DMB [auth 5],
DNA [auth 3],
DNB [auth 5],
DOA [auth 4],
DOB [auth 5],
DP [auth 1],
DQ [auth 1],
DQA [auth O4],
DR [auth 1],
DRA [auth 6],
DS [auth 1],
DSA [auth 6],
DT [auth 1],
DTA [auth 6],
DU [auth 1],
DUA [auth 6],
DV [auth 1],
DW [auth 1],
DX [auth 1],
DY [auth 1],
DZ [auth 1],
EAA [auth 1],
EBB [auth sM],
EBC [auth 5],
ECB [auth 5],
ECC [auth 8],
EDB [auth 5],
EDC [auth l2],
EEB [auth 5],
EFB [auth 5],
EFC [auth q1],
EG [auth 2],
EGB [auth 5],
EH [auth 2],
EHB [auth 5],
EI [auth 2],
EIB [auth 5],
EJB [auth 5],
EKB [auth 5],
ELB [auth 5],
EMB [auth 5],
ENA [auth 3],
ENB [auth 5],
EO [auth SM],
EOA [auth 4],
EOB [auth 5],
EP [auth 1],
EPA [auth L6],
EQ [auth 1],
ER [auth 1],
ERA [auth 6],
ES [auth 1],
ESA [auth 6],
ET [auth 1],
ETA [auth 6],
EU [auth 1],
EUA [auth 6],
EV [auth 1],
EW [auth 1],
EX [auth 1],
EY [auth 1],
EZ [auth 1],
FAA [auth 1],
FBB [auth sM],
FBC [auth 5],
FCB [auth 5],
FCC [auth 8],
FDB [auth 5],
FDC [auth l3],
FEB [auth 5],
FEC [auth m6],
FFB [auth 5],
FG [auth 2],
FGB [auth 5],
FH [auth 2],
FHB [auth 5],
FI [auth 2],
FIB [auth 5],
FJB [auth 5],
FKB [auth 5],
FLB [auth 5],
FMB [auth 5],
FNA [auth 3],
FNB [auth 5],
FOA [auth 4],
FOB [auth 5],
FP [auth 1],
FPA [auth L7],
FQ [auth 1],
FQA [auth O7],
FR [auth 1],
FRA [auth 6],
FS [auth 1],
FSA [auth 6],
FT [auth 1],
FTA [auth 6],
FU [auth 1],
FUA [auth 6],
FV [auth 1],
FW [auth 1],
FX [auth 1],
FY [auth 1],
FZ [auth 1],
GAA [auth 1],
GBB [auth 5],
GBC [auth 5],
GCB [auth 5],
GCC [auth 8],
GDB [auth 5],
GDC [auth l3],
GEB [auth 5],
GEC [auth m7],
GF [auth 2],
GFB [auth 5],
GG [auth 2],
GGB [auth 5],
GH [auth 2],
GHB [auth 5],
GI [auth 2],
GIB [auth 5],
GJB [auth 5],
GKB [auth 5],
GLB [auth 5],
GMB [auth 5],
GNA [auth 3],
GNB [auth 5],
GO [auth 1],
GOA [auth 4],
GOB [auth 5],
GP [auth 1],
GPA [auth M0],
GQ [auth 1],
GQA [auth O7],
GR [auth 1],
GRA [auth 6],
GS [auth 1],
GSA [auth 6],
GT [auth 1],
GTA [auth 6],
GU [auth 1],
GUA [auth 6],
GV [auth 1],
GW [auth 1],
GX [auth 1],
GY [auth 1],
GZ [auth 1],
HAA [auth 1],
HBB [auth 5],
HBC [auth 5],
HCB [auth 5],
HCC [auth 8],
HDB [auth 5],
HDC [auth l3],
HEB [auth 5],
HEC [auth m7],
HF [auth 2],
HFB [auth 5],
HG [auth 2],
HGB [auth 5],
HH [auth 2],
HHB [auth 5],
HI [auth 2],
HIB [auth 5],
HJB [auth 5],
HKB [auth 5],
HLB [auth 5],
HMB [auth 5],
HNA [auth 3],
HNB [auth 5],
HO [auth 1],
HOB [auth 5],
HP [auth 1],
HQ [auth 1],
HR [auth 1],
HRA [auth 6],
HS [auth 1],
HSA [auth 6],
HT [auth 1],
HTA [auth 6],
HU [auth 1],
HUA [auth 6],
HV [auth 1],
HW [auth 1],
HX [auth 1],
HY [auth 1],
HZ [auth 1],
IAA [auth 1],
IBB [auth 5],
IBC [auth 7],
ICB [auth 5],
ICC [auth 8],
IDB [auth 5],
IDC [auth l3],
IEB [auth 5],
IEC [auth m7],
IF [auth 2],
IFB [auth 5],
IG [auth 2],
IGB [auth 5],
IH [auth 2],
IHB [auth 5],
II [auth 2],
IIB [auth 5],
IJB [auth 5],
IKB [auth 5],
ILB [auth 5],
IMB [auth 5],
INB [auth 5],
IO [auth 1],
IOB [auth 5],
IP [auth 1],
IPA [auth M3],
IQ [auth 1],
IR [auth 1],
IRA [auth 6],
IS [auth 1],
ISA [auth 6],
IT [auth 1],
ITA [auth 6],
IU [auth 1],
IUA [auth 6],
IV [auth 1],
IW [auth 1],
IX [auth 1],
IY [auth 1],
IZ [auth 1],
JAA [auth 1],
JBB [auth 5],
JBC [auth 7],
JCB [auth 5],
JCC [auth 8],
JDB [auth 5],
JDC [auth l3],
JEB [auth 5],
JF [auth 2],
JFB [auth 5],
JG [auth 2],
JGB [auth 5],
JH [auth 2],
JHB [auth 5],
JI [auth 2],
JIB [auth 5],
JJB [auth 5],
JKB [auth 5],
JLB [auth 5],
JMB [auth 5],
JNB [auth 5],
JO [auth 1],
JP [auth 1],
JPA [auth M5],
JQ [auth 1],
JR [auth 1],
JRA [auth 6],
JS [auth 1],
JSA [auth 6],
JT [auth 1],
JTA [auth 6],
JU [auth 1],
JUA [auth 6],
JV [auth 1],
JW [auth 1],
JX [auth 1],
JY [auth 1],
JZ [auth 1],
KAA [auth 1],
KBB [auth 5],
KBC [auth 7],
KCB [auth 5],
KCC [auth 8],
KDB [auth 5],
KEB [auth 5],
KEC [auth n0],
KF [auth 2],
KFB [auth 5],
KG [auth 2],
KGB [auth 5],
KH [auth 2],
KHB [auth 5],
KIB [auth 5],
KJB [auth 5],
KKB [auth 5],
KLB [auth 5],
KMB [auth 5],
KNB [auth 5],
KO [auth 1],
KP [auth 1],
KQ [auth 1],
KR [auth 1],
KRA [auth 6],
KS [auth 1],
KSA [auth 6],
KT [auth 1],
KTA [auth 6],
KU [auth 1],
KUA [auth 6],
KV [auth 1],
KW [auth 1],
KX [auth 1],
KY [auth 1],
KZ [auth 1],
LAA [auth 1],
LBB [auth 5],
LBC [auth 7],
LCB [auth 5],
LCC [auth 8],
LDB [auth 5],
LEB [auth 5],
LEC [auth n0],
LF [auth 2],
LFB [auth 5],
LG [auth 2],
LGB [auth 5],
LH [auth 2],
LHB [auth 5],
LIB [auth 5],
LJB [auth 5],
LKB [auth 5],
LLB [auth 5],
LMB [auth 5],
LNB [auth 5],
LO [auth 1],
LP [auth 1],
LPA [auth M6],
LQ [auth 1],
LR [auth 1],
LRA [auth 6],
LS [auth 1],
LSA [auth 6],
LT [auth 1],
LTA [auth 6],
LU [auth 1],
LUA [auth 6],
LV [auth 1],
LW [auth 1],
LX [auth 1],
LY [auth 1],
LZ [auth 1],
MAA [auth 1],
MBB [auth 5],
MBC [auth 7],
MCB [auth 5],
MCC [auth 8],
MDB [auth 5],
MEB [auth 5],
MEC [auth n3],
MF [auth 2],
MFB [auth 5],
MG [auth 2],
MGB [auth 5],
MH [auth 2],
MHB [auth 5],
MIB [auth 5],
MJB [auth 5],
MKB [auth 5],
MLB [auth 5],
MMB [auth 5],
MNB [auth 5],
MO [auth 1],
MP [auth 1],
MQ [auth 1],
MQA [auth Q2],
MR [auth 1],
MRA [auth 6],
MS [auth 1],
MSA [auth 6],
MT [auth 1],
MTA [auth 6],
MU [auth 1],
MUA [auth 6],
MV [auth 1],
MW [auth 1],
MX [auth 1],
MY [auth 1],
MZ [auth 1],
NAA [auth 1],
NAB [auth 6],
NBB [auth 5],
NBC [auth 7],
NCB [auth 5],
NDB [auth 5],
NEB [auth 5],
NF [auth 2],
NFB [auth 5],
NG [auth 2],
NGB [auth 5],
NH [auth 2],
NHB [auth 5],
NIB [auth 5],
NJB [auth 5],
NKB [auth 5],
NLB [auth 5],
NMB [auth 5],
NNB [auth 5],
NO [auth 1],
NP [auth 1],
NPA [auth M7],
NQ [auth 1],
NR [auth 1],
NRA [auth 6],
NS [auth 1],
NSA [auth 6],
NT [auth 1],
NTA [auth 6],
NU [auth 1],
NUA [auth 6],
NV [auth 1],
NW [auth 1],
NX [auth 1],
NY [auth 1],
NZ [auth 1],
OAA [auth 1],
OAB [auth 6],
OBB [auth 5],
OBC [auth 7],
OCB [auth 5],
ODB [auth 5],
OEB [auth 5],
OF [auth 2],
OFB [auth 5],
OG [auth 2],
OGB [auth 5],
OH [auth 2],
OHB [auth 5],
OIB [auth 5],
OJB [auth 5],
OKB [auth 5],
OLB [auth 5],
OMB [auth 5],
ONB [auth 5],
OO [auth 1],
OP [auth 1],
OPA [auth M7],
OQ [auth 1],
OR [auth 1],
ORA [auth 6],
OS [auth 1],
OSA [auth 6],
OT [auth 1],
OTA [auth 6],
OU [auth 1],
OUA [auth 6],
OV [auth 1],
OW [auth 1],
OX [auth 1],
OY [auth 1],
OZ [auth 1],
PAA [auth 1],
PBB [auth 5],
PBC [auth 7],
PCB [auth 5],
PDB [auth 5],
PEB [auth 5],
PEC [auth n6],
PF [auth 2],
PFB [auth 5],
PG [auth 2],
PGB [auth 5],
PH [auth 2],
PHB [auth 5],
PIB [auth 5],
PJB [auth 5],
PKB [auth 5],
PLB [auth 5],
PMB [auth 5],
PNB [auth 5],
PO [auth 1],
PP [auth 1],
PPA [auth M7],
PQ [auth 1],
PQA [auth 6],
PR [auth 1],
PRA [auth 6],
PS [auth 1],
PSA [auth 6],
PT [auth 1],
PTA [auth 6],
PU [auth 1],
PUA [auth 6],
PV [auth 1],
PW [auth 1],
PX [auth 1],
PY [auth 1],
PZ [auth 1],
QAA [auth 1],
QAB [auth s8],
QBB [auth 5],
QBC [auth 7],
QCB [auth 5],
QDB [auth 5],
QEB [auth 5],
QEC [auth n6],
QF [auth 2],
QFB [auth 5],
QG [auth 2],
QGB [auth 5],
QH [auth 2],
QHB [auth 5],
QIB [auth 5],
QJB [auth 5],
QKB [auth 5],
QLB [auth 5],
QMB [auth 5],
QNB [auth 5],
QO [auth 1],
QP [auth 1],
QPA [auth M7],
QQ [auth 1],
QQA [auth 6],
QR [auth 1],
QRA [auth 6],
QS [auth 1],
QSA [auth 6],
QT [auth 1],
QTA [auth 6],
QU [auth 1],
QUA [auth 6],
QV [auth 1],
QW [auth 1],
QX [auth 1],
QY [auth 1],
QZ [auth 1],
RAA [auth 1],
RBB [auth 5],
RBC [auth 7],
RCB [auth 5],
RDB [auth 5],
RDC [auth l6],
REB [auth 5],
REC [auth n8],
RF [auth 2],
RFB [auth 5],
RG [auth 2],
RGB [auth 5],
RH [auth 2],
RHB [auth 5],
RIB [auth 5],
RJB [auth 5],
RKB [auth 5],
RLB [auth 5],
RMB [auth 5],
RN [auth S4],
RNB [auth 5],
RO [auth 1],
RP [auth 1],
RQ [auth 1],
RQA [auth 6],
RR [auth 1],
RRA [auth 6],
RS [auth 1],
RSA [auth 6],
RT [auth 1],
RTA [auth 6],
RU [auth 1],
RUA [auth 6],
RV [auth 1],
RW [auth 1],
RX [auth 1],
RY [auth 1],
RZ [auth 1],
SBB [auth 5],
SCB [auth 5],
SDB [auth 5],
SDC [auth l7],
SEB [auth 5],
SEC [auth n8],
SF [auth 2],
SFB [auth 5],
SG [auth 2],
SGB [auth 5],
SH [auth 2],
SHB [auth 5],
SIB [auth 5],
SJB [auth 5],
SKB [auth 5],
SLB [auth 5],
SMB [auth 5],
SNA [auth 3],
SNB [auth 5],
SO [auth 1],
SP [auth 1],
SQ [auth 1],
SQA [auth 6],
SR [auth 1],
SRA [auth 6],
SS [auth 1],
SSA [auth 6],
ST [auth 1],
STA [auth 6],
SU [auth 1],
SUA [auth 6],
SV [auth 1],
SW [auth 1],
SX [auth 1],
SY [auth 1],
SZ [auth 1],
TAB [auth c1],
TBB [auth 5],
TCB [auth 5],
TDB [auth 5],
TDC [auth l8],
TEB [auth 5],
TEC [auth n9],
TF [auth 2],
TFB [auth 5],
TG [auth 2],
TGB [auth 5],
TH [auth 2],
THB [auth 5],
TIB [auth 5],
TJB [auth 5],
TKB [auth 5],
TLB [auth 5],
TMA [auth 1],
TMB [auth 5],
TNA [auth 4],
TNB [auth 5],
TO [auth 1],
TP [auth 1],
TQ [auth 1],
TQA [auth 6],
TR [auth 1],
TRA [auth 6],
TS [auth 1],
TSA [auth 6],
TT [auth 1],
TTA [auth 6],
TU [auth 1],
TV [auth 1],
TW [auth 1],
TX [auth 1],
TY [auth 1],
TZ [auth 1],
UBB [auth 5],
UCB [auth 5],
UDB [auth 5],
UDC [auth l9],
UEB [auth 5],
UF [auth 2],
UFB [auth 5],
UG [auth 2],
UGB [auth 5],
UH [auth 2],
UHB [auth 5],
UIB [auth 5],
UJB [auth 5],
UKB [auth 5],
ULB [auth 5],
UMA [auth 1],
UMB [auth 5],
UNA [auth 4],
UNB [auth 5],
UO [auth 1],
UP [auth 1],
UPA [auth N3],
UQ [auth 1],
UQA [auth 6],
UR [auth 1],
URA [auth 6],
US [auth 1],
USA [auth 6],
UT [auth 1],
UTA [auth 6],
UU [auth 1],
UV [auth 1],
UW [auth 1],
UX [auth 1],
UY [auth 1],
UZ [auth 1],
VBB [auth 5],
VCB [auth 5],
VDB [auth 5],
VEB [auth 5],
VEC [auth o1],
VF [auth 2],
VFB [auth 5],
VG [auth 2],
VGB [auth 5],
VH [auth 2],
VHB [auth 5],
VIB [auth 5],
VJB [auth 5],
VKB [auth 5],
VLB [auth 5],
VMA [auth 1],
VMB [auth 5],
VNA [auth 4],
VNB [auth 5],
VO [auth 1],
VP [auth 1],
VPA [auth N8],
VQ [auth 1],
VQA [auth 6],
VR [auth 1],
VRA [auth 6],
VS [auth 1],
VSA [auth 6],
VT [auth 1],
VTA [auth 6],
VU [auth 1],
VV [auth 1],
VW [auth 1],
VX [auth 1],
VY [auth 1],
VZ [auth 1],
WBB [auth 5],
WCB [auth 5],
WDB [auth 5],
WEB [auth 5],
WEC [auth o3],
WF [auth 2],
WFB [auth 5],
WG [auth 2],
WGB [auth 5],
WH [auth 2],
WHB [auth 5],
WIB [auth 5],
WJB [auth 5],
WKB [auth 5],
WLB [auth 5],
WMA [auth 1],
WMB [auth 5],
WNA [auth 4],
WNB [auth 5],
WO [auth 1],
WP [auth 1],
WPA [auth N8],
WQ [auth 1],
WQA [auth 6],
WR [auth 1],
WRA [auth 6],
WS [auth 1],
WSA [auth 6],
WT [auth 1],
WTA [auth 6],
WU [auth 1],
WV [auth 1],
WW [auth 1],
WX [auth 1],
WY [auth 1],
WZ [auth 1],
XBB [auth 5],
XCB [auth 5],
XDB [auth 5],
XEB [auth 5],
XF [auth 2],
XFB [auth 5],
XG [auth 2],
XGB [auth 5],
XH [auth 2],
XHB [auth 5],
XIB [auth 5],
XJB [auth 5],
XKB [auth 5],
XLB [auth 5],
XMA [auth 1],
XMB [auth 5],
XNA [auth 4],
XNB [auth 5],
XO [auth 1],
XP [auth 1],
XQ [auth 1],
XQA [auth 6],
XR [auth 1],
XRA [auth 6],
XS [auth 1],
XSA [auth 6],
XT [auth 1],
XTA [auth 6],
XU [auth 1],
XV [auth 1],
XW [auth 1],
XX [auth 1],
XY [auth 1],
XZ [auth 1],
YBB [auth 5],
YCB [auth 5],
YDB [auth 5],
YDC [auth m1],
YEB [auth 5],
YEC [auth o4],
YF [auth 2],
YFB [auth 5],
YG [auth 2],
YGB [auth 5],
YH [auth 2],
YHB [auth 5],
YIB [auth 5],
YJB [auth 5],
YKB [auth 5],
YLB [auth 5],
YMA [auth 1],
YMB [auth 5],
YNA [auth 4],
YNB [auth 5],
YO [auth 1],
YOA [auth L2],
YP [auth 1],
YQ [auth 1],
YQA [auth 6],
YR [auth 1],
YRA [auth 6],
YS [auth 1],
YSA [auth 6],
YT [auth 1],
YTA [auth 6],
YU [auth 1],
YV [auth 1],
YW [auth 1],
YX [auth 1],
YY [auth 1],
YZ [auth 1],
ZAB [auth d6],
ZBB [auth 5],
ZCB [auth 5],
ZDB [auth 5],
ZEB [auth 5],
ZF [auth 2],
ZFB [auth 5],
ZG [auth 2],
ZGB [auth 5],
ZH [auth 2],
ZHB [auth 5],
ZIB [auth 5],
ZJB [auth 5],
ZKB [auth 5],
ZLB [auth 5],
ZMA [auth 3],
ZMB [auth 5],
ZNA [auth 4],
ZNB [auth 5],
ZO [auth 1],
ZOA [auth L2],
ZP [auth 1],
ZPA [auth O2],
ZQ [auth 1],
ZQA [auth 6],
ZR [auth 1],
ZRA [auth 6],
ZS [auth 1],
ZSA [auth 6],
ZT [auth 1],
ZTA [auth 6],
ZU [auth 1],
ZV [auth 1],
ZW [auth 1],
ZX [auth 1],
ZY [auth 1],
ZZ [auth 1]
MAGNESIUM ION
Mg
JLVVSXFLKOJNIY-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.10 Å
  • R-Value Free: 0.291 
  • R-Value Work: 0.234 
  • R-Value Observed: 0.236 
  • Space Group: P 1 21 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 436.11α = 90
b = 287.31β = 98.86
c = 303.99γ = 90
Software Package:
Software NamePurpose
XDSdata reduction
XSCALEdata scaling
Cootmodel building
PHENIXrefinement
PDB_EXTRACTdata extraction

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 


View more in-depth experimental data
Entry History & Funding Information

Deposition Data

Funding OrganizationLocationGrant Number
French National Research AgencyFranceANR-11-BSV8-006 01
European Research Council294312
Human Frontier Science ProgramRGP0062/2012
Russian Government Program of Competitive Growth of Kazan Federal UniversityRussian Federation--
National Institutes of HealthUnited StatesR01GM117177
National Institutes of HealthUnited StatesR01HL119439

Revision History  (Full details and data files)

  • Version 1.0: 2016-05-11
    Type: Initial release
  • Version 1.1: 2016-05-18
    Changes: Derived calculations
  • Version 1.2: 2016-06-08
    Changes: Database references
  • Version 2.0: 2017-08-30
    Changes: Advisory, Atomic model, Author supporting evidence, Derived calculations
  • Version 2.1: 2017-10-11
    Changes: Data collection
  • Version 2.2: 2024-01-10
    Changes: Data collection, Database references, Derived calculations, Refinement description
  • Version 2.3: 2024-11-13
    Changes: Structure summary