Structure of PDB 4q01 Chain A Binding Site BS02

Receptor Information
>4q01 Chain A (length=166) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTEYKLVVVGAVGVGKSALTIQLIQNHFVDEYDPTIEDCYRKQVVIDGET
CLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQI
KRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQ
GVDDAFYTLVREIRKH
Ligand information
Ligand ID2XH
InChIInChI=1S/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
InChIKeySEXOVMIIVBKGGM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Sc1cccc2ccccc12
ACDLabs 12.01Sc2cccc1ccccc12
OpenEye OEToolkits 1.7.6c1ccc2c(c1)cccc2S
FormulaC10 H8 S
Namenaphthalene-1-thiol
ChEMBLCHEMBL4094874
DrugBank
ZINCZINC000001846581
PDB chain4q01 Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4q01 A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
Resolution1.291 Å
Binding residue
(original residue number in PDB)		C39 D54 I55 L56 Y71
Binding residue
(residue number reindexed from 1)		C39 D54 I55 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:4q01, PDBe:4q01, PDBj:4q01
PDBsum4q01
PubMed25087006
UniProtP01116|RASK_HUMAN GTPase KRas (Gene Name=KRAS)

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