Structure of PDB 4ykq Chain A Binding Site BS01

Receptor Information
>4ykq 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 ID4EO
InChIInChI=1S/C15H14N2O3/c1-2-9-7-12(14(19)8-13(9)18)17-11-6-4-3-5-10(11)16-15(17)20/h3-8,18-19H,2H2,1H3,(H,16,20)
InChIKeyZNBISFUDIQEGEX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCc1cc(c(cc1O)O)N2c3ccccc3NC2=O
CACTVS 3.385CCc1cc(N2C(=O)Nc3ccccc23)c(O)cc1O
ACDLabs 12.01O=C2Nc1ccccc1N2c3cc(c(cc3O)O)CC
FormulaC15 H14 N2 O3
Name1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one
ChEMBL
DrugBank
ZINCZINC000584905073
PDB chain4ykq 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4ykq Structure of Heat Shock Protein 90 Bound to CS301
Resolution1.91 Å
Binding residue
(original residue number in PDB)		N51 A55 D93 I96 G97 M98 L107 F138 T184
Binding residue
(residue number reindexed from 1)		N36 A40 D78 I81 G82 M83 L92 F123 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4ykq, PDBe:4ykq, PDBj:4ykq
PDBsum4ykq
PubMed
UniProtP07900|HS90A_HUMAN Heat shock protein HSP 90-alpha (Gene Name=HSP90AA1)

[Back to BioLiP]