8OJ3

Crystal structure of the Candida albicans 80S ribosome in complex with geneticin G418 (rotated state)


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.50 Å
  • R-Value Free: 0.293 
  • R-Value Work: 0.249 
  • R-Value Observed: 0.249 

Starting Model: experimental
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This is version 1.0 of the entry. See complete history


Literature

Drug-induced rotational movement of the ribosome is a key factor for read-through enhancement

Kolosova, O.Zgadzay, Y.Yusupov, M.

To be published.

Macromolecules

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Entity ID: 4
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L2-BD [auth j],
EC [auth AW]
254Candida albicansMutation(s): 0 
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Entity ID: 5
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L3E [auth k],
FC [auth AX]
389Candida albicansMutation(s): 0 
UniProt
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Entity ID: 6
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L4-BF [auth l],
GC [auth AY]
363Candida albicansMutation(s): 0 
UniProt
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Entity ID: 7
MoleculeChains Sequence LengthOrganismDetailsImage
Uncharacterized protein CaJ7.0206G [auth m],
HC [auth AZ]
298Candida albicansMutation(s): 0 
UniProt
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Entity ID: 8
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L6H [auth n],
IC [auth BA]
176Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PCX8 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 9
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L7-AI [auth o],
JC [auth BB]
241Candida albicansMutation(s): 0 
UniProt
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Entity ID: 10
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L8J [auth p],
KC [auth BC]
262Candida albicansMutation(s): 0 
UniProt
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Entity ID: 11
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L9-BK [auth q],
LC [auth BD]
191Candida albicansMutation(s): 0 
UniProt
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Entity ID: 12
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L10L [auth r]219Candida albicansMutation(s): 0 
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Entity ID: 13
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L11-BM [auth s],
NC [auth BF]
174Candida albicansMutation(s): 0 
UniProt
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Entity ID: 14
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L13N [auth t],
OC [auth BG]
202Candida albicansMutation(s): 0 
UniProt
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Entity ID: 15
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L14-BO [auth u],
PC [auth BH]
131Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PFL9 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 16
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L15-AP [auth v],
QC [auth BI]
204Candida albicansMutation(s): 0 
UniProt
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Entity ID: 17
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein L13Q [auth w],
RC [auth BJ]
200Candida albicansMutation(s): 0 
UniProt
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Entity ID: 18
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein L22R [auth x],
SC [auth BK]
185Candida albicansMutation(s): 0 
UniProt
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Entity ID: 19
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L18-AS [auth y],
TC [auth BL]
186Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PK43 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 20
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L19-AT [auth z],
UC [auth BM]
190Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PK40 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 21
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L20U [auth 0],
VC [auth BN]
172Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PLC9 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 22
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L21-AV [auth 2],
WC [auth BO]
160Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PGY0 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 23
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L22-BW [auth 5],
XC [auth BP]
124Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PM41 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 24
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L23-AX [auth 6],
YC [auth BQ]
137Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PPT5 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 25
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L24-AY [auth 7],
ZC [auth BR]
155Candida albicansMutation(s): 0 
UniProt
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Entity ID: 26
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L25AD [auth BS],
Z [auth 8]
142Candida albicansMutation(s): 0 
UniProt
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Entity ID: 27
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein L24AA [auth 9],
BD [auth BT]
127Candida albicansMutation(s): 0 
UniProt
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Entity ID: 28
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L27BA [auth AA],
CD [auth BU]
136Candida albicansMutation(s): 0 
UniProt
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Entity ID: 29
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L28CA [auth AB],
DD [auth BV]
149Candida albicansMutation(s): 0 
UniProt
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Entity ID: 30
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L29DA [auth AC],
ED [auth BW]
63Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PF57 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 31
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L30EA [auth AD],
FD [auth BX]
106Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PM75 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 32
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L31-BFA [auth AE],
GD [auth BY]
112Candida albicansMutation(s): 0 
UniProt
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Entity ID: 33
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L32GA [auth AF],
HD [auth BZ]
131Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PPN6 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 34
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L33-AHA [auth AG],
ID [auth CA]
107Candida albicansMutation(s): 0 
UniProt
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Entity ID: 35
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L34-BIA [auth AH],
JD [auth CB]
122Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PDZ1 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 36
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein L29JA [auth AI],
KD [auth CC]
120Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PK30 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 37
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L36KA [auth AJ],
LD [auth CD]
99Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PH21 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 38
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L37-BLA [auth AK],
MD [auth CE]
90Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PF45 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 39
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L38MA [auth AL],
ND [auth CF]
78Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PG16 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 40
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L39NA [auth AM],
OD [auth CG]
51Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PDT4 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 41
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L40-BOA [auth AN],
PD [auth CH]
52Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PL68 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 42
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L41PA [auth AO],
QD [auth CI]
25Candida albicansMutation(s): 0 
UniProt
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Entity ID: 43
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L42-BQA [auth AP],
RD [auth CJ]
106Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PEV4 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 44
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L43-ARA [auth AQ],
SD [auth CK]
92Candida albicansMutation(s): 0 
UniProt
Find proteins for A0A1D8PP14 (Candida albicans (strain SC5314 / ATCC MYA-2876))
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Entity ID: 45
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein CAALFM_C304810CASA [auth i],
TD [auth CL]
267Candida albicansMutation(s): 0 
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Entity ID: 47
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S0UA [auth C],
VD [auth CN]
261Candida albicansMutation(s): 0 
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Entity ID: 48
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S1VA [auth D],
WD [auth CO]
256Candida albicansMutation(s): 0 
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Entity ID: 49
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein S5WA [auth E],
XD [auth CP]
249Candida albicansMutation(s): 0 
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Entity ID: 50
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein S3XA [auth F],
YD [auth CQ]
251Candida albicansMutation(s): 0 
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Entity ID: 51
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S4YA [auth G],
ZD [auth CR]
262Candida albicansMutation(s): 0 
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Entity ID: 52
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein S7AE [auth CS],
ZA [auth H]
225Candida albicansMutation(s): 0 
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Entity ID: 53
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S6AB [auth I],
BE [auth CT]
236Candida albicansMutation(s): 0 
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Entity ID: 54
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S7BB [auth J],
CE [auth CU]
186Candida albicansMutation(s): 0 
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Entity ID: 55
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S8CB [auth K],
DE [auth CV]
206Candida albicansMutation(s): 0 
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Entity ID: 56
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein S4DB [auth L],
EE [auth CW]
189Candida albicansMutation(s): 0 
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Entity ID: 57
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S10-AEB [auth M],
FE [auth CX]
118Candida albicansMutation(s): 0 
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Entity ID: 58
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S11AFB [auth N],
GE [auth CY]
155Candida albicansMutation(s): 0 
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Entity ID: 59
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S12GB [auth O],
HE [auth CZ]
143Candida albicansMutation(s): 0 
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Entity ID: 60
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S13HB [auth P],
IE [auth DA]
151Candida albicansMutation(s): 0 
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Entity ID: 61
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S14-AIB [auth Q],
JE [auth DB]
132Candida albicansMutation(s): 0 
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Entity ID: 62
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S15JB [auth R],
KE [auth DC]
142Candida albicansMutation(s): 0 
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Entity ID: 63
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S16KB [auth S],
LE [auth DD]
142Candida albicansMutation(s): 0 
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Entity ID: 64
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S17-BLB [auth T],
ME [auth DE]
137Candida albicansMutation(s): 0 
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Entity ID: 65
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S18-BMB [auth U],
NE [auth DF]
145Candida albicansMutation(s): 0 
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Entity ID: 66
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S19-ANB [auth V],
OE [auth DG]
145Candida albicansMutation(s): 0 
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Entity ID: 67
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein S10OB [auth W],
PE [auth DH]
119Candida albicansMutation(s): 0 
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Entity ID: 68
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S21PB [auth X],
QE [auth DI]
87Candida albicansMutation(s): 0 
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Entity ID: 69
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S22-AQB [auth Y],
RE [auth DJ]
130Candida albicansMutation(s): 0 
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Entity ID: 70
MoleculeChains Sequence LengthOrganismDetailsImage
Ribosomal protein S23 (S12)RB [auth Z],
SE [auth DK]
145Candida albicansMutation(s): 0 
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Entity ID: 71
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S24SB [auth a],
TE [auth DL]
135Candida albicansMutation(s): 0 
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Entity ID: 72
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S25TB [auth b],
UE [auth DM]
105Candida albicansMutation(s): 0 
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Entity ID: 73
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S26UB [auth c],
VE [auth DN]
119Candida albicansMutation(s): 0 
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Entity ID: 74
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S27VB [auth d],
WE [auth DO]
82Candida albicansMutation(s): 0 
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Entity ID: 75
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S28-BWB [auth e],
XE [auth DP]
67Candida albicansMutation(s): 0 
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Entity ID: 76
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S29AXB [auth f],
YE [auth DQ]
56Candida albicansMutation(s): 0 
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Entity ID: 77
MoleculeChains Sequence LengthOrganismDetailsImage
40S ribosomal protein S30YB [auth g],
ZE [auth DR]
63Candida albicansMutation(s): 0 
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Entity ID: 78
MoleculeChains Sequence LengthOrganismDetailsImage
Ubiquitin-40S ribosomal protein S31 fusion proteinAF [auth DS],
ZB [auth h]
193Candida albicansMutation(s): 0 
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Entity ID: 79
MoleculeChains Sequence LengthOrganismDetailsImage
Guanine nucleotide-binding protein subunit beta-like proteinAC [auth AR],
BF [auth DT]
317Candida albicansMutation(s): 0 
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Entity ID: 80
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L10MC [auth BE]220Candida albicansMutation(s): 0 
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Entity ID: 81
MoleculeChains Sequence LengthOrganismDetailsImage
60S acidic ribosomal protein P0CF [auth P0]312Candida albicansMutation(s): 0 
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Entity ID: 82
MoleculeChains Sequence LengthOrganismDetailsImage
60S ribosomal protein L12-ADF [auth 12]165Candida albicansMutation(s): 0 
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Entity ID: 1
MoleculeChains LengthOrganismImage
25S ribosomal RNAA [auth 1],
BC [auth AS]
3,359Candida albicans
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Entity ID: 2
MoleculeChains LengthOrganismImage
5S ribosomal RNAB [auth 3],
CC [auth AT]
121Candida albicans
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Entity ID: 3
MoleculeChains LengthOrganismImage
5.8S ribosomal RNAC [auth 4],
DC [auth AU]
158Candida albicans
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Entity ID: 46
MoleculeChains LengthOrganismImage
18S ribosomal RNATA [auth B],
UD [auth CM]
1,787Candida albicans
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Small Molecules
Ligands 4 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
3K5
Query on 3K5

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EF [auth 1],
PDA [auth AS]
3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose
C40 H52 O17
VOTNXJVGRXZYOA-XFJWYURVSA-N
GET (Subject of Investigation/LOI)
Query on GET

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WAA [auth B],
WUA [auth CM]
GENETICIN
C20 H40 N4 O10
BRZYSWJRSDMWLG-DJWUNRQOSA-N
ZN
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IXA [auth DN]
JXA [auth DQ]
KXA [auth DS]
LDA [auth c]
MDA [auth d]
IXA [auth DN],
JXA [auth DQ],
KXA [auth DS],
LDA [auth c],
MDA [auth d],
NDA [auth f],
ODA [auth h],
QY [auth AH],
STA [auth CB],
SY [auth AK],
TY [auth AN],
UTA [auth CE],
UY [auth AP],
WTA [auth CH],
XTA [auth CJ],
XY [auth AQ],
YTA [auth CK]
ZINC ION
Zn
PTFCDOFLOPIGGS-UHFFFAOYSA-N
MG
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AAA [auth B]
ABA [auth B]
ACA [auth B]
ADA [auth L]
AEA [auth AS]
AAA [auth B],
ABA [auth B],
ACA [auth B],
ADA [auth L],
AEA [auth AS],
AFA [auth AS],
AG [auth 1],
AGA [auth AS],
AH [auth 1],
AHA [auth AS],
AI [auth 1],
AIA [auth AS],
AJ [auth 1],
AJA [auth AS],
AK [auth 1],
AKA [auth AS],
AL [auth 1],
ALA [auth AS],
AM [auth 1],
AMA [auth AS],
AN [auth 1],
ANA [auth AS],
AO [auth 1],
AOA [auth AS],
AP [auth 1],
APA [auth AS],
AQ [auth 1],
AQA [auth AS],
AR [auth 1],
ARA [auth AS],
AS [auth 1],
ASA [auth AS],
AT [auth 1],
ATA [auth AX],
AU [auth 1],
AUA [auth CL],
AV [auth 1],
AVA [auth CM],
AW [auth 1],
AWA [auth CM],
AX [auth 1],
AXA [auth CM],
AY [auth v],
AZ [auth B],
BAA [auth B],
BBA [auth B],
BCA [auth B],
BDA [auth Q],
BEA [auth AS],
BFA [auth AS],
BG [auth 1],
BGA [auth AS],
BH [auth 1],
BHA [auth AS],
BI [auth 1],
BIA [auth AS],
BJ [auth 1],
BJA [auth AS],
BK [auth 1],
BKA [auth AS],
BL [auth 1],
BLA [auth AS],
BM [auth 1],
BMA [auth AS],
BN [auth 1],
BNA [auth AS],
BO [auth 1],
BOA [auth AS],
BP [auth 1],
BPA [auth AS],
BQ [auth 1],
BQA [auth AS],
BR [auth 1],
BRA [auth AS],
BS [auth 1],
BSA [auth AS],
BT [auth 1],
BTA [auth AX],
BU [auth 1],
BUA [auth CM],
BV [auth 1],
BVA [auth CM],
BW [auth 1],
BWA [auth CM],
BX [auth 1],
BXA [auth CM],
BY [auth w],
BZ [auth B],
CAA [auth B],
CBA [auth B],
CCA [auth B],
CDA [auth Q],
CEA [auth AS],
CFA [auth AS],
CG [auth 1],
CGA [auth AS],
CH [auth 1],
CHA [auth AS],
CI [auth 1],
CIA [auth AS],
CJ [auth 1],
CJA [auth AS],
CK [auth 1],
CKA [auth AS],
CL [auth 1],
CLA [auth AS],
CM [auth 1],
CMA [auth AS],
CN [auth 1],
CNA [auth AS],
CO [auth 1],
COA [auth AS],
CP [auth 1],
CPA [auth AS],
CQ [auth 1],
CQA [auth AS],
CR [auth 1],
CRA [auth AS],
CS [auth 1],
CSA [auth AS],
CT [auth 1],
CTA [auth AX],
CU [auth 1],
CUA [auth CM],
CV [auth 1],
CVA [auth CM],
CW [auth 1],
CWA [auth CM],
CX [auth 1],
CXA [auth CW],
CY [auth x],
CZ [auth B],
DAA [auth B],
DBA [auth B],
DCA [auth B],
DDA [auth R],
DEA [auth AS],
DFA [auth AS],
DG [auth 1],
DGA [auth AS],
DH [auth 1],
DHA [auth AS],
DI [auth 1],
DIA [auth AS],
DJ [auth 1],
DJA [auth AS],
DK [auth 1],
DKA [auth AS],
DL [auth 1],
DLA [auth AS],
DM [auth 1],
DMA [auth AS],
DN [auth 1],
DNA [auth AS],
DO [auth 1],
DOA [auth AS],
DP [auth 1],
DPA [auth AS],
DQ [auth 1],
DQA [auth AS],
DR [auth 1],
DRA [auth AS],
DS [auth 1],
DSA [auth AS],
DT [auth 1],
DTA [auth AY],
DU [auth 1],
DUA [auth CM],
DV [auth 1],
DVA [auth CM],
DW [auth 1],
DWA [auth CM],
DX [auth 1],
DXA [auth DA],
DY [auth y],
DZ [auth B],
EAA [auth B],
EBA [auth B],
ECA [auth B],
EDA [auth R],
EEA [auth AS],
EFA [auth AS],
EG [auth 1],
EGA [auth AS],
EH [auth 1],
EHA [auth AS],
EI [auth 1],
EIA [auth AS],
EJ [auth 1],
EJA [auth AS],
EK [auth 1],
EKA [auth AS],
EL [auth 1],
ELA [auth AS],
EM [auth 1],
EMA [auth AS],
EN [auth 1],
ENA [auth AS],
EO [auth 1],
EOA [auth AS],
EP [auth 1],
EPA [auth AS],
EQ [auth 1],
EQA [auth AS],
ER [auth 1],
ERA [auth AS],
ES [auth 1],
ESA [auth AS],
ET [auth 1],
ETA [auth AY],
EU [auth 1],
EUA [auth CM],
EV [auth 1],
EVA [auth CM],
EW [auth 1],
EWA [auth CM],
EX [auth 1],
EXA [auth DG],
EY [auth y],
EZ [auth B],
FAA [auth B],
FBA [auth B],
FCA [auth B],
FDA [auth R],
FEA [auth AS],
FF [auth 1],
FFA [auth AS],
FG [auth 1],
FGA [auth AS],
FH [auth 1],
FHA [auth AS],
FI [auth 1],
FIA [auth AS],
FJ [auth 1],
FJA [auth AS],
FK [auth 1],
FKA [auth AS],
FL [auth 1],
FLA [auth AS],
FM [auth 1],
FMA [auth AS],
FN [auth 1],
FNA [auth AS],
FO [auth 1],
FOA [auth AS],
FP [auth 1],
FPA [auth AS],
FQ [auth 1],
FQA [auth AS],
FR [auth 1],
FRA [auth AS],
FS [auth 1],
FSA [auth AS],
FT [auth 1],
FTA [auth AZ],
FU [auth 1],
FUA [auth CM],
FV [auth 1],
FVA [auth CM],
FW [auth 1],
FWA [auth CM],
FX [auth 1],
FXA [auth DH],
FY [auth y],
FZ [auth B],
GAA [auth B],
GBA [auth B],
GCA [auth B],
GDA [auth R],
GEA [auth AS],
GF [auth 1],
GFA [auth AS],
GG [auth 1],
GGA [auth AS],
GH [auth 1],
GHA [auth AS],
GI [auth 1],
GIA [auth AS],
GJ [auth 1],
GJA [auth AS],
GK [auth 1],
GKA [auth AS],
GL [auth 1],
GLA [auth AS],
GM [auth 1],
GMA [auth AS],
GN [auth 1],
GNA [auth AS],
GO [auth 1],
GOA [auth AS],
GP [auth 1],
GPA [auth AS],
GQ [auth 1],
GQA [auth AS],
GR [auth 1],
GRA [auth AS],
GS [auth 1],
GSA [auth AS],
GT [auth 1],
GTA [auth BB],
GU [auth 1],
GUA [auth CM],
GV [auth 1],
GVA [auth CM],
GW [auth 1],
GWA [auth CM],
GX [auth 3],
GXA [auth DK],
GY [auth 0],
GZ [auth B],
HAA [auth B],
HBA [auth B],
HCA [auth B],
HDA [auth T],
HEA [auth AS],
HF [auth 1],
HFA [auth AS],
HG [auth 1],
HGA [auth AS],
HH [auth 1],
HHA [auth AS],
HI [auth 1],
HIA [auth AS],
HJ [auth 1],
HJA [auth AS],
HK [auth 1],
HKA [auth AS],
HL [auth 1],
HLA [auth AS],
HM [auth 1],
HMA [auth AS],
HN [auth 1],
HNA [auth AS],
HO [auth 1],
HOA [auth AS],
HP [auth 1],
HPA [auth AS],
HQ [auth 1],
HQA [auth AS],
HR [auth 1],
HRA [auth AS],
HS [auth 1],
HSA [auth AS],
HT [auth 1],
HTA [auth BB],
HU [auth 1],
HUA [auth CM],
HV [auth 1],
HVA [auth CM],
HW [auth 1],
HWA [auth CM],
HX [auth 3],
HXA [auth DK],
HY [auth 0],
HZ [auth B],
IAA [auth B],
IBA [auth B],
ICA [auth B],
IDA [auth Y],
IEA [auth AS],
IF [auth 1],
IFA [auth AS],
IG [auth 1],
IGA [auth AS],
IH [auth 1],
IHA [auth AS],
II [auth 1],
IIA [auth AS],
IJ [auth 1],
IJA [auth AS],
IK [auth 1],
IKA [auth AS],
IL [auth 1],
ILA [auth AS],
IM [auth 1],
IMA [auth AS],
IN [auth 1],
INA [auth AS],
IO [auth 1],
IOA [auth AS],
IP [auth 1],
IPA [auth AS],
IQ [auth 1],
IQA [auth AS],
IR [auth 1],
IRA [auth AS],
IS [auth 1],
ISA [auth AS],
IT [auth 1],
ITA [auth BC],
IU [auth 1],
IUA [auth CM],
IV [auth 1],
IVA [auth CM],
IW [auth 1],
IWA [auth CM],
IX [auth 3],
IY [auth 0],
IZ [auth B],
JAA [auth B],
JBA [auth B],
JCA [auth B],
JDA [auth Y],
JEA [auth AS],
JF [auth 1],
JFA [auth AS],
JG [auth 1],
JGA [auth AS],
JH [auth 1],
JHA [auth AS],
JI [auth 1],
JIA [auth AS],
JJ [auth 1],
JJA [auth AS],
JK [auth 1],
JKA [auth AS],
JL [auth 1],
JLA [auth AS],
JM [auth 1],
JMA [auth AS],
JN [auth 1],
JNA [auth AS],
JO [auth 1],
JOA [auth AS],
JP [auth 1],
JPA [auth AS],
JQ [auth 1],
JQA [auth AS],
JR [auth 1],
JRA [auth AS],
JS [auth 1],
JSA [auth AS],
JT [auth 1],
JTA [auth BE],
JU [auth 1],
JUA [auth CM],
JV [auth 1],
JVA [auth CM],
JW [auth 1],
JWA [auth CM],
JX [auth 3],
JY [auth 0],
JZ [auth B],
KAA [auth B],
KBA [auth B],
KCA [auth B],
KDA [auth a],
KEA [auth AS],
KF [auth 1],
KFA [auth AS],
KG [auth 1],
KGA [auth AS],
KH [auth 1],
KHA [auth AS],
KI [auth 1],
KIA [auth AS],
KJ [auth 1],
KJA [auth AS],
KK [auth 1],
KKA [auth AS],
KL [auth 1],
KLA [auth AS],
KM [auth 1],
KMA [auth AS],
KN [auth 1],
KNA [auth AS],
KO [auth 1],
KOA [auth AS],
KP [auth 1],
KPA [auth AS],
KQ [auth 1],
KQA [auth AS],
KR [auth 1],
KRA [auth AS],
KS [auth 1],
KSA [auth AS],
KT [auth 1],
KTA [auth BI],
KU [auth 1],
KUA [auth CM],
KV [auth 1],
KVA [auth CM],
KW [auth 1],
KWA [auth CM],
KX [auth 3],
KY [auth 2],
KZ [auth B],
LAA [auth B],
LBA [auth B],
LCA [auth B],
LEA [auth AS],
LF [auth 1],
LFA [auth AS],
LG [auth 1],
LGA [auth AS],
LH [auth 1],
LHA [auth AS],
LI [auth 1],
LIA [auth AS],
LJ [auth 1],
LJA [auth AS],
LK [auth 1],
LKA [auth AS],
LL [auth 1],
LLA [auth AS],
LM [auth 1],
LMA [auth AS],
LN [auth 1],
LNA [auth AS],
LO [auth 1],
LOA [auth AS],
LP [auth 1],
LPA [auth AS],
LQ [auth 1],
LQA [auth AS],
LR [auth 1],
LRA [auth AS],
LS [auth 1],
LSA [auth AS],
LT [auth 1],
LTA [auth BK],
LU [auth 1],
LUA [auth CM],
LV [auth 1],
LVA [auth CM],
LW [auth 1],
LWA [auth CM],
LX [auth 3],
LXA [auth P0],
LY [auth 6],
LZ [auth B],
MAA [auth B],
MBA [auth B],
MCA [auth B],
MEA [auth AS],
MF [auth 1],
MFA [auth AS],
MG [auth 1],
MGA [auth AS],
MH [auth 1],
MHA [auth AS],
MI [auth 1],
MIA [auth AS],
MJ [auth 1],
MJA [auth AS],
MK [auth 1],
MKA [auth AS],
ML [auth 1],
MLA [auth AS],
MM [auth 1],
MMA [auth AS],
MN [auth 1],
MNA [auth AS],
MO [auth 1],
MOA [auth AS],
MP [auth 1],
MPA [auth AS],
MQ [auth 1],
MQA [auth AS],
MR [auth 1],
MRA [auth AS],
MS [auth 1],
MSA [auth AS],
MT [auth 1],
MTA [auth BL],
MU [auth 1],
MUA [auth CM],
MV [auth 1],
MVA [auth CM],
MW [auth 1],
MWA [auth CM],
MX [auth 3],
MY [auth AB],
MZ [auth B],
NAA [auth B],
NBA [auth B],
NCA [auth B],
NEA [auth AS],
NF [auth 1],
NFA [auth AS],
NG [auth 1],
NGA [auth AS],
NH [auth 1],
NHA [auth AS],
NI [auth 1],
NIA [auth AS],
NJ [auth 1],
NJA [auth AS],
NK [auth 1],
NKA [auth AS],
NL [auth 1],
NLA [auth AS],
NM [auth 1],
NMA [auth AS],
NN [auth 1],
NNA [auth AS],
NO [auth 1],
NOA [auth AS],
NP [auth 1],
NPA [auth AS],
NQ [auth 1],
NQA [auth AS],
NR [auth 1],
NRA [auth AS],
NS [auth 1],
NSA [auth AS],
NT [auth 1],
NTA [auth BL],
NU [auth 1],
NUA [auth CM],
NV [auth 1],
NVA [auth CM],
NW [auth 1],
NWA [auth CM],
NX [auth 4],
NY [auth AB],
NZ [auth B],
OAA [auth B],
OBA [auth B],
OCA [auth B],
OEA [auth AS],
OF [auth 1],
OFA [auth AS],
OG [auth 1],
OGA [auth AS],
OH [auth 1],
OHA [auth AS],
OI [auth 1],
OIA [auth AS],
OJ [auth 1],
OJA [auth AS],
OK [auth 1],
OKA [auth AS],
OL [auth 1],
OLA [auth AS],
OM [auth 1],
OMA [auth AS],
ON [auth 1],
ONA [auth AS],
OO [auth 1],
OOA [auth AS],
OP [auth 1],
OPA [auth AS],
OQ [auth 1],
OQA [auth AS],
OR [auth 1],
ORA [auth AS],
OS [auth 1],
OSA [auth AS],
OT [auth 1],
OTA [auth BO],
OU [auth 1],
OUA [auth CM],
OV [auth 1],
OVA [auth CM],
OW [auth 1],
OWA [auth CM],
OX [auth j],
OY [auth AC],
OZ [auth B],
PAA [auth B],
PBA [auth B],
PCA [auth B],
PEA [auth AS],
PF [auth 1],
PFA [auth AS],
PG [auth 1],
PGA [auth AS],
PH [auth 1],
PHA [auth AS],
PI [auth 1],
PIA [auth AS],
PJ [auth 1],
PJA [auth AS],
PK [auth 1],
PKA [auth AS],
PL [auth 1],
PLA [auth AS],
PM [auth 1],
PMA [auth AS],
PN [auth 1],
PNA [auth AS],
PO [auth 1],
POA [auth AS],
PP [auth 1],
PPA [auth AS],
PQ [auth 1],
PQA [auth AS],
PR [auth 1],
PRA [auth AS],
PS [auth 1],
PSA [auth AT],
PT [auth 1],
PTA [auth BQ],
PU [auth 1],
PUA [auth CM],
PV [auth 1],
PVA [auth CM],
PW [auth 1],
PWA [auth CM],
PX [auth k],
PY [auth AD],
PZ [auth B],
QAA [auth B],
QBA [auth B],
QCA [auth B],
QDA [auth AS],
QEA [auth AS],
QF [auth 1],
QFA [auth AS],
QG [auth 1],
QGA [auth AS],
QH [auth 1],
QHA [auth AS],
QI [auth 1],
QIA [auth AS],
QJ [auth 1],
QJA [auth AS],
QK [auth 1],
QKA [auth AS],
QL [auth 1],
QLA [auth AS],
QM [auth 1],
QMA [auth AS],
QN [auth 1],
QNA [auth AS],
QO [auth 1],
QOA [auth AS],
QP [auth 1],
QPA [auth AS],
QQ [auth 1],
QQA [auth AS],
QR [auth 1],
QRA [auth AS],
QS [auth 1],
QSA [auth AT],
QT [auth 1],
QTA [auth BZ],
QU [auth 1],
QUA [auth CM],
QV [auth 1],
QVA [auth CM],
QW [auth 1],
QWA [auth CM],
QX [auth k],
QZ [auth B],
RAA [auth B],
RBA [auth B],
RCA [auth B],
RDA [auth AS],
REA [auth AS],
RF [auth 1],
RFA [auth AS],
RG [auth 1],
RGA [auth AS],
RH [auth 1],
RHA [auth AS],
RI [auth 1],
RIA [auth AS],
RJ [auth 1],
RJA [auth AS],
RK [auth 1],
RKA [auth AS],
RL [auth 1],
RLA [auth AS],
RM [auth 1],
RMA [auth AS],
RN [auth 1],
RNA [auth AS],
RO [auth 1],
ROA [auth AS],
RP [auth 1],
RPA [auth AS],
RQ [auth 1],
RQA [auth AS],
RR [auth 1],
RRA [auth AS],
RS [auth 1],
RSA [auth AT],
RT [auth 1],
RTA [auth CA],
RU [auth 1],
RUA [auth CM],
RV [auth 1],
RVA [auth CM],
RW [auth 1],
RWA [auth CM],
RX [auth k],
RY [auth AJ],
RZ [auth B],
SAA [auth B],
SBA [auth B],
SCA [auth B],
SDA [auth AS],
SEA [auth AS],
SF [auth 1],
SFA [auth AS],
SG [auth 1],
SGA [auth AS],
SH [auth 1],
SHA [auth AS],
SI [auth 1],
SIA [auth AS],
SJ [auth 1],
SJA [auth AS],
SK [auth 1],
SKA [auth AS],
SL [auth 1],
SLA [auth AS],
SM [auth 1],
SMA [auth AS],
SN [auth 1],
SNA [auth AS],
SO [auth 1],
SOA [auth AS],
SP [auth 1],
SPA [auth AS],
SQ [auth 1],
SQA [auth AS],
SR [auth 1],
SRA [auth AS],
SS [auth 1],
SSA [auth AT],
ST [auth 1],
SU [auth 1],
SUA [auth CM],
SV [auth 1],
SVA [auth CM],
SW [auth 1],
SWA [auth CM],
SX [auth m],
SZ [auth B],
TAA [auth B],
TBA [auth B],
TCA [auth B],
TDA [auth AS],
TEA [auth AS],
TF [auth 1],
TFA [auth AS],
TG [auth 1],
TGA [auth AS],
TH [auth 1],
THA [auth AS],
TI [auth 1],
TIA [auth AS],
TJ [auth 1],
TJA [auth AS],
TK [auth 1],
TKA [auth AS],
TL [auth 1],
TLA [auth AS],
TM [auth 1],
TMA [auth AS],
TN [auth 1],
TNA [auth AS],
TO [auth 1],
TOA [auth AS],
TP [auth 1],
TPA [auth AS],
TQ [auth 1],
TQA [auth AS],
TR [auth 1],
TRA [auth AS],
TS [auth 1],
TSA [auth AT],
TT [auth 1],
TTA [auth CB],
TU [auth 1],
TUA [auth CM],
TV [auth 1],
TVA [auth CM],
TW [auth 1],
TWA [auth CM],
TX [auth o],
TZ [auth B],
UAA [auth B],
UBA [auth B],
UCA [auth C],
UDA [auth AS],
UEA [auth AS],
UF [auth 1],
UFA [auth AS],
UG [auth 1],
UGA [auth AS],
UH [auth 1],
UHA [auth AS],
UI [auth 1],
UIA [auth AS],
UJ [auth 1],
UJA [auth AS],
UK [auth 1],
UKA [auth AS],
UL [auth 1],
ULA [auth AS],
UM [auth 1],
UMA [auth AS],
UN [auth 1],
UNA [auth AS],
UO [auth 1],
UOA [auth AS],
UP [auth 1],
UPA [auth AS],
UQ [auth 1],
UQA [auth AS],
UR [auth 1],
URA [auth AS],
US [auth 1],
USA [auth AU],
UT [auth 1],
UU [auth 1],
UUA [auth CM],
UV [auth 1],
UVA [auth CM],
UW [auth 1],
UWA [auth CM],
UX [auth o],
UZ [auth B],
VAA [auth B],
VBA [auth B],
VCA [auth D],
VDA [auth AS],
VEA [auth AS],
VF [auth 1],
VFA [auth AS],
VG [auth 1],
VGA [auth AS],
VH [auth 1],
VHA [auth AS],
VI [auth 1],
VIA [auth AS],
VJ [auth 1],
VJA [auth AS],
VK [auth 1],
VKA [auth AS],
VL [auth 1],
VLA [auth AS],
VM [auth 1],
VMA [auth AS],
VN [auth 1],
VNA [auth AS],
VO [auth 1],
VOA [auth AS],
VP [auth 1],
VPA [auth AS],
VQ [auth 1],
VQA [auth AS],
VR [auth 1],
VRA [auth AS],
VS [auth 1],
VSA [auth AU],
VT [auth 1],
VTA [auth CG],
VU [auth 1],
VUA [auth CM],
VV [auth 1],
VVA [auth CM],
VW [auth 1],
VWA [auth CM],
VX [auth o],
VY [auth AP],
VZ [auth B],
WBA [auth B],
WCA [auth E],
WDA [auth AS],
WEA [auth AS],
WF [auth 1],
WFA [auth AS],
WG [auth 1],
WGA [auth AS],
WH [auth 1],
WHA [auth AS],
WI [auth 1],
WIA [auth AS],
WJ [auth 1],
WJA [auth AS],
WK [auth 1],
WKA [auth AS],
WL [auth 1],
WLA [auth AS],
WM [auth 1],
WMA [auth AS],
WN [auth 1],
WNA [auth AS],
WO [auth 1],
WOA [auth AS],
WP [auth 1],
WPA [auth AS],
WQ [auth 1],
WQA [auth AS],
WR [auth 1],
WRA [auth AS],
WS [auth 1],
WSA [auth AU],
WT [auth 1],
WU [auth 1],
WV [auth 1],
WVA [auth CM],
WW [auth 1],
WWA [auth CM],
WX [auth o],
WY [auth AP],
WZ [auth B],
XAA [auth B],
XBA [auth B],
XCA [auth F],
XDA [auth AS],
XEA [auth AS],
XF [auth 1],
XFA [auth AS],
XG [auth 1],
XGA [auth AS],
XH [auth 1],
XHA [auth AS],
XI [auth 1],
XIA [auth AS],
XJ [auth 1],
XJA [auth AS],
XK [auth 1],
XKA [auth AS],
XL [auth 1],
XLA [auth AS],
XM [auth 1],
XMA [auth AS],
XN [auth 1],
XNA [auth AS],
XO [auth 1],
XOA [auth AS],
XP [auth 1],
XPA [auth AS],
XQ [auth 1],
XQA [auth AS],
XR [auth 1],
XRA [auth AS],
XS [auth 1],
XSA [auth AU],
XT [auth 1],
XU [auth 1],
XUA [auth CM],
XV [auth 1],
XVA [auth CM],
XW [auth 1],
XWA [auth CM],
XX [auth r],
XZ [auth B],
YAA [auth B],
YBA [auth B],
YCA [auth G],
YDA [auth AS],
YEA [auth AS],
YF [auth 1],
YFA [auth AS],
YG [auth 1],
YGA [auth AS],
YH [auth 1],
YHA [auth AS],
YI [auth 1],
YIA [auth AS],
YJ [auth 1],
YJA [auth AS],
YK [auth 1],
YKA [auth AS],
YL [auth 1],
YLA [auth AS],
YM [auth 1],
YMA [auth AS],
YN [auth 1],
YNA [auth AS],
YO [auth 1],
YOA [auth AS],
YP [auth 1],
YPA [auth AS],
YQ [auth 1],
YQA [auth AS],
YR [auth 1],
YRA [auth AS],
YS [auth 1],
YSA [auth AU],
YT [auth 1],
YU [auth 1],
YUA [auth CM],
YV [auth 1],
YVA [auth CM],
YW [auth 1],
YWA [auth CM],
YX [auth u],
YY [auth B],
YZ [auth B],
ZAA [auth B],
ZBA [auth B],
ZCA [auth K],
ZDA [auth AS],
ZEA [auth AS],
ZF [auth 1],
ZFA [auth AS],
ZG [auth 1],
ZGA [auth AS],
ZH [auth 1],
ZHA [auth AS],
ZI [auth 1],
ZIA [auth AS],
ZJ [auth 1],
ZJA [auth AS],
ZK [auth 1],
ZKA [auth AS],
ZL [auth 1],
ZLA [auth AS],
ZM [auth 1],
ZMA [auth AS],
ZN [auth 1],
ZNA [auth AS],
ZO [auth 1],
ZOA [auth AS],
ZP [auth 1],
ZPA [auth AS],
ZQ [auth 1],
ZQA [auth AS],
ZR [auth 1],
ZRA [auth AS],
ZS [auth 1],
ZSA [auth AW],
ZT [auth 1],
ZTA [auth CL],
ZU [auth 1],
ZUA [auth CM],
ZV [auth 1],
ZVA [auth CM],
ZW [auth 1],
ZWA [auth CM],
ZX [auth v],
ZY [auth B],
ZZ [auth B]
MAGNESIUM ION
Mg
JLVVSXFLKOJNIY-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.50 Å
  • R-Value Free: 0.293 
  • R-Value Work: 0.249 
  • R-Value Observed: 0.249 
  • Space Group: P 1 21 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 300.29α = 90
b = 294.06β = 99.77
c = 442.55γ = 90
Software Package:
Software NamePurpose
PHENIXrefinement
XSCALEdata scaling
XDSdata reduction
PHENIXphasing

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 


Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
Foundation for Medical Research (France)FranceDEQ20181039600
Foundation for Medical Research (France)FranceDBF20160635745
Foundation for Medical Research (France)FranceFDT202204014886
Russian Science FoundationRussian Federation20-65-47031

Revision History  (Full details and data files)

  • Version 1.0: 2024-10-09
    Type: Initial release