Structure of PDB 7opr Chain A Binding Site BS03

Receptor Information
>7opr Chain A (length=218) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMSFLTEEEQEAIMKVLQRDAALKRAEEERGSDGDYDYLIKFLALGDSGV
GKTSVLYQYTDGKFNSKFITTVGIDFREKRVVYRASGPDGATGRGQRIHL
QLWDTAGLERFRSLTTAFFRDAMGFLLLFDLTNEQSFLNVRNWISQLQMH
AYCENPDIVLCGNKSDLEDQRVVKEEEAIALAEKYGIPYFETSAANGTNI
SQAIEMLLDLIMKRMERS
Ligand information
Ligand ID05Y
InChIInChI=1S/C17H18N4O/c1-2-16(22)20-17-19-14-8-3-4-9-15(14)21(17)12-10-13-7-5-6-11-18-13/h3-9,11H,2,10,12H2,1H3,(H,19,20,22)
InChIKeyXNCNQSNDNANIRM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3
FormulaC17 H18 N4 O
Name~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide
ChEMBL
DrugBank
ZINC
PDB chain7opr Chain A Residue 210 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7opr Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Resolution2.32 Å
Binding residue
(original residue number in PDB)		K11 R90 D91 A92 M93 Y122 C123 I181 R184 M185
Binding residue
(residue number reindexed from 1)		K41 R120 D121 A122 M123 Y152 C153 I211 R214 M215
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
GO:0031267 small GTPase binding
Biological Process
GO:0006886 intracellular protein transport

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7opr, PDBe:7opr, PDBj:7opr
PDBsum7opr
PubMed35308027
UniProtP51159|RB27A_HUMAN Ras-related protein Rab-27A (Gene Name=RAB27A);
Q9HCH5

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