Structure of PDB 7u8h Chain D Binding Site BS01

Receptor Information
>7u8h Chain D (length=168) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTEYKLVVVGAVGVGKSALTIQLIQNHFVDEYDPTIEDCYRKQVVIDGET
CLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQI
KRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQ
GVDDAFYTLVREIRKHKE
Ligand information
Ligand ID2XO
InChIInChI=1S/C8H8N2S/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
InChIKeyXGIDEUICZZXBFQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)[nH]c(n2)CS
CACTVS 3.385SCc1[nH]c2ccccc2n1
ACDLabs 12.01n2c1ccccc1nc2CS
FormulaC8 H8 N2 S
Name1H-benzimidazol-2-ylmethanethiol
ChEMBLCHEMBL2358377
DrugBank
ZINCZINC000000127800
PDB chain7u8h Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7u8h Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
Resolution1.702 Å
Binding residue
(original residue number in PDB)		L6 V7 C39 D54 L56 Y71
Binding residue
(residue number reindexed from 1)		L6 V7 C39 D54 L56 Y71
Annotation score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7u8h, PDBe:7u8h, PDBj:7u8h
PDBsum7u8h
PubMed36300829
UniProtP01116|RASK_HUMAN GTPase KRas (Gene Name=KRAS)

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