Structure of PDB 4q03 Chain A Binding Site BS02

Receptor Information
>4q03 Chain A (length=170) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMTEYKLVVVGAVGVGKSALTIQLIQNHFVDEYDPTIEDCYRKQVVIDGE
TCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQ
IKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTR
QGVDDAFYTLVREIRKHKEK
Ligand information
Ligand ID2XE
InChIInChI=1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyFTBCOQFMQSTCQQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Brc1ccc(S)cc1
CACTVS 3.385Sc1ccc(Br)cc1
OpenEye OEToolkits 1.7.6c1cc(ccc1S)Br
FormulaC6 H5 Br S
Name4-bromobenzenethiol
ChEMBLCHEMBL278240
DrugBank
ZINCZINC000000164869
PDB chain4q03 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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PDB4q03 A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
Resolution1.201 Å
Binding residue
(original residue number in PDB)		L6 C39 Y40 D54 I55 L56 Y71 T74 G75
Binding residue
(residue number reindexed from 1)		L7 C40 Y41 D55 I56 L57 Y72 T75 G76
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:4q03, PDBe:4q03, PDBj:4q03
PDBsum4q03
PubMed25087006
UniProtP01116|RASK_HUMAN GTPase KRas (Gene Name=KRAS)

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