Structure of PDB 4i1o Chain A Binding Site BS01

Receptor Information
>4i1o Chain A (length=177) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYDYLFKLLLIGDSGVGKSCLLLRFADDTYTESYISTIGVDFKIRTIELD
GKTIKLQIWDTAGQERFRTITSSYYRGAHGIIVVYDVTDQESYANVKQWL
QEIDRYASENVNKLLVGNKSDLTTKKVVDNTTAKEFADSLGIPFLETSAK
NATNVEQAFMTMAAEIKKRMGLEVLFQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4i1o Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4i1o Mechanism of Rab1b deactivation by the Legionella pneumophila GAP LepB.
Resolution2.701 Å
Binding residue
(original residue number in PDB)		S22 T40 D63
Binding residue
(residue number reindexed from 1)		S19 T37 D60
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q67
Catalytic site (residue number reindexed from 1) Q64
Enzyme Commision number 3.6.5.2: small monomeric GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:4i1o, PDBe:4i1o, PDBj:4i1o
PDBsum4i1o
PubMed23288104
UniProtQ9H0U4|RAB1B_HUMAN Ras-related protein Rab-1B (Gene Name=RAB1B)

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