Structure of PDB 2yeb Chain A Binding Site BS01

Receptor Information

>2yeb Chain A (length=208) Species: 9606 (Homo sapiens)

EVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLT
DPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGT
KAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESS
AGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIG
YPITLFVE

Ligand information

• Ligand ID: 2K4
• InChI: InChI=1S/C7H6N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h1-4,10H,(H,8,9)
• InChIKey: NUYZVDBIVNOTSC-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: c1cc2cn[nH]c2cc1O
  CACTVS 3.370: Oc1ccc2cn[nH]c2c1
  ACDLabs 12.01: n2cc1ccc(O)cc1n2
• Formula: C7 H6 N2 O
• Name: 1H-INDAZOL-6-OL
• ZINC: ZINC000006093719
• PDB chain: 2yeb Chain A Residue 1224

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2yeb How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): N51 M98 T184 E223
• Binding residue (residue number reindexed from 1): N36 M83 T169 E208
• Annotation score: 1

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

External links

• PDB: RCSB:2yeb, PDBe:2yeb, PDBj:2yeb
• PDBsum: 2yeb
• PubMed: 21561141
• UniProt: P07900|HS90A_HUMAN Heat shock protein HSP 90-alpha (Gene Name=HSP90AA1)