Structure of PDB 3hz1 Chain A Binding Site BS02

Receptor Information
>3hz1 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 chain3hz1 Chain A Residue 238 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hz1 Crystal structure of Hsp90 with fragments 37-D04 and 42-C03
Resolution2.3 Å
Binding residue
(original residue number in PDB)		M98 G135 F138 Y139 W162
Binding residue
(residue number reindexed from 1)		M83 G120 F123 Y124 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:3hz1, PDBe:3hz1, PDBj:3hz1
PDBsum3hz1
PubMed
UniProtP07900|HS90A_HUMAN Heat shock protein HSP 90-alpha (Gene Name=HSP90AA1)

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