Structure of PDB 4pzz Chain A Binding Site BS02

Receptor Information
>4pzz 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 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 chain4pzz Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4pzz A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
Resolution1.403 Å
Binding residue
(original residue number in PDB)		K5 V7 C39 D54
Binding residue
(residue number reindexed from 1)		K6 V8 C40 D55
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4pzz, PDBe:4pzz, PDBj:4pzz
PDBsum4pzz
PubMed25087006
UniProtP01116|RASK_HUMAN GTPase KRas (Gene Name=KRAS)

[Back to BioLiP]