Structure of PDB 4yky Chain A Binding Site BS01

Receptor Information
>4yky Chain A (length=208) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLT
DPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGT
KAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESS
AGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIG
YPITLFVE
Ligand information
Ligand ID4EU
InChIInChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H
InChIKeyOKJFKPFBSPZTAH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)C(=O)c2ccc(O)cc2O
OpenEye OEToolkits 1.9.2c1cc(ccc1C(=O)c2ccc(cc2O)O)O
ACDLabs 12.01O=C(c1ccc(cc1O)O)c2ccc(cc2)O
FormulaC13 H10 O4
Name(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone
ChEMBLCHEMBL1905072
DrugBank
ZINCZINC000000037292
PDB chain4yky Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yky Structure of Heat Shock Protein 90 Bound to CS319
Resolution1.78 Å
Binding residue
(original residue number in PDB)		N51 A55 K58 D93 I96 G97 M98 T184
Binding residue
(residue number reindexed from 1)		N36 A40 K43 D78 I81 G82 M83 T169
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.10: non-chaperonin molecular chaperone ATPase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0051082 unfolded protein binding
GO:0140662 ATP-dependent protein folding chaperone
Biological Process
GO:0006457 protein folding

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Molecular Function
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Biological Process
External links
PDB RCSB:4yky, PDBe:4yky, PDBj:4yky
PDBsum4yky
PubMed
UniProtP07900|HS90A_HUMAN Heat shock protein HSP 90-alpha (Gene Name=HSP90AA1)

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