Structure of PDB 3hyy Chain A Binding Site BS01

Receptor Information
>3hyy 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 ID37D
InChIInChI=1S/C10H10N2O3/c1-6-8(10(13)14-2)9(12-11-6)7-4-3-5-15-7/h3-5H,1-2H3,(H,11,12)
InChIKeyQIPOGDVPLFLWHT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(OC)c2c(nnc2c1occc1)C
OpenEye OEToolkits 1.5.0Cc1c(c([nH]n1)c2ccco2)C(=O)OC
CACTVS 3.341COC(=O)c1c(C)n[nH]c1c2occc2
FormulaC10 H10 N2 O3
Namemethyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate
ChEMBLCHEMBL1230058
DrugBank
ZINCZINC000000118547
PDB chain3hyy Chain A Residue 237 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hyy Crystal structure of Hsp90 with fragment 37-D04
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F138 Y139 V150 W162
Binding residue
(residue number reindexed from 1)		F123 Y124 V135 W147
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:3hyy, PDBe:3hyy, PDBj:3hyy
PDBsum3hyy
PubMed
UniProtP07900|HS90A_HUMAN Heat shock protein HSP 90-alpha (Gene Name=HSP90AA1)

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