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BioLiP

Structure of PDB 7d26 Chain A Binding Site BS01

Receptor Information
>7d26 Chain A (length=209) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLT
DPSKLDSGKELHINLIPSKQDRTLTIVDTGIGMTKADLINNLGTIAKSGT
KAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESS
AGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIG
YPITLFVEK
Ligand information
Ligand IDGQ9
InChIInChI=1S/C15H11ClN6O/c16-12-11-13(21-15(17)20-12)22(8-19-11)7-10-6-18-14(23-10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,17,20,21)
InChIKeyUYTXWVZDCZPGRX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1nc(Cl)c2ncn(Cc3oc(nc3)c4ccccc4)c2n1
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N
FormulaC15 H11 Cl N6 O
Name6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine
ChEMBL
DrugBank
ZINC
PDB chain7d26 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7d26 Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		N51 A55 G97 M98 L103 L107 F138 W162
Binding residue
(residue number reindexed from 1)		N36 A40 G82 M83 L88 L92 F123 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:7d26, PDBe:7d26, PDBj:7d26
PDBsum7d26
PubMed33317068
UniProtP07901|HS90A_MOUSE Heat shock protein HSP 90-alpha (Gene Name=Hsp90aa1)

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