A crystallographic fragment study with cAMP-dependent protein kinase A
Siefker, C., Heine, A., Klebe, G.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
cAMP-dependent protein kinase catalytic subunit alpha | 353 | Cricetulus griseus | Mutation(s): 0  Gene Names: PRKACA EC: 2.7.11.11 | ||
UniProt | |||||
Find proteins for P25321 (Cricetulus griseus) Explore P25321  Go to UniProtKB:  P25321 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P25321 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 4 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
8G5 Query on 8G5 | D [auth A] | (4R)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one C12 H16 N2 O2 S TYUHVGOUDDESRF-MRVPVSSYSA-N | |||
MRD Query on MRD | B [auth A] | (4R)-2-METHYLPENTANE-2,4-DIOL C6 H14 O2 SVTBMSDMJJWYQN-RXMQYKEDSA-N | |||
MPD Query on MPD | C [auth A] | (4S)-2-METHYL-2,4-PENTANEDIOL C6 H14 O2 SVTBMSDMJJWYQN-YFKPBYRVSA-N | |||
DMS Query on DMS | E [auth A] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |
Modified Residues 2 Unique | |||||
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ID | Chains | Type | Formula | 2D Diagram | Parent |
SEP Query on SEP | A | L-PEPTIDE LINKING | C3 H8 N O6 P | SER | |
TPO Query on TPO | A | L-PEPTIDE LINKING | C4 H10 N O6 P | THR |
Length ( Å ) | Angle ( ˚ ) |
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a = 51.498 | α = 90 |
b = 71.293 | β = 90 |
c = 97.963 | γ = 90 |
Software Name | Purpose |
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PHENIX | refinement |
XDS | data reduction |
XDS | data scaling |
PHASER | phasing |
Coot | model building |