Structure of PDB 4pzy Chain B Binding Site BS03

Receptor Information

>4pzy Chain B (length=170) Species: 9606 (Homo sapiens)

GMTEYKLVVVGAVGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGE
TCLLDILDTAGQEEYSAMRDCYMRTGEGFLCVFAINNTKSFEDIHHYREQ
IKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTR
QGVDDAFYTLVREIRKHKEK

Ligand information

• Ligand ID: 2XR
• InChI: InChI=1S/C10H8ClNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2
• InChIKey: LLZQFAXTCYDVTR-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: ClCC(=O)c1c[nH]c2ccccc12
  ACDLabs 12.01: ClCC(=O)c2c1ccccc1nc2
  OpenEye OEToolkits 1.7.6: c1ccc2c(c1)c(c[nH]2)C(=O)CCl
• Formula: C10 H8 Cl N O
• Name: 2-chloro-1-(1H-indol-3-yl)ethanone
• ZINC: ZINC000000546930
• PDB chain: 4pzy Chain B Residue 204

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4pzy A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
• Resolution: 1.88 Å
• Binding residue (original residue number in PDB): C70 R73
• Binding residue (residue number reindexed from 1): C71 R74
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.5.2: small monomeric GTPase.

Gene Ontology

Molecular Function

• GO:0003924 GTPase activity
• GO:0005525 GTP binding

Biological Process

• GO:0007165 signal transduction

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4pzy, PDBe:4pzy, PDBj:4pzy
• PDBsum: 4pzy
• PubMed: 25087006
• UniProt: P01116|RASK_HUMAN GTPase KRas (Gene Name=KRAS)