Structure of PDB 7lgi Chain A Binding Site BS03

Receptor Information
>7lgi Chain A (length=169) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGET
CLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQI
KRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQ
GVDDAFYTLVREIRKHKEK
Ligand information
Ligand IDP2Z
InChIInChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
InChIKeyZGUGWUXLJSTTMA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C)CCCN1c2ccccc2Sc3ccccc13
ACDLabs 12.01S2c1ccccc1N(c3c2cccc3)CCCN(C)C
OpenEye OEToolkits 1.7.6CN(C)CCCN1c2ccccc2Sc3c1cccc3
FormulaC17 H20 N2 S
NamePromazine;
N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine
ChEMBLCHEMBL564
DrugBankDB00420
ZINCZINC000000010402
PDB chain7lgi 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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PDB7lgi Antipsychotic phenothiazine drugs bind to KRAS in vitro.
ResolutionN/A
Binding residue
(original residue number in PDB)		K5 V7 S39 R41 D54 L56 Y71 T74
Binding residue
(residue number reindexed from 1)		K5 V7 S39 R41 D54 L56 Y71 T74
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:7lgi, PDBe:7lgi, PDBj:7lgi
PDBsum7lgi
PubMed34176062
UniProtP01116|RASK_HUMAN GTPase KRas (Gene Name=KRAS)

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