Structure of PDB 3reg Chain A Binding Site BS02

Receptor Information
>3reg Chain A (length=171) Species: 5759 (Entamoeba histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKALKIVVVGDGAVGKTCLLLAFSKGEIPTAYVPTVFENFSHVMKYKNEE
FILHLWDTAGQEEYDRLRPLSYADSDVVLLCFAVNNRTSFDNISTKWEPE
IKHYIDTAKTVLVGLKVDLRKDGSDDVTKQEGDDLCQKLGCVAYIEASSV
AKIGLNEVFEKSVDCIFSNKP
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 chain3reg Chain A Residue 550 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3reg Unique structural and nucleotide exchange features of the Rho1 GTPase of Entamoeba histolytica.
Resolution1.801 Å
Binding residue
(original residue number in PDB)		T34 T52
Binding residue
(residue number reindexed from 1)		T17 T35
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:0007264 small GTPase-mediated signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:3reg, PDBe:3reg, PDBj:3reg
PDBsum3reg
PubMed21930699
UniProtP31021|RHO1_ENTH1 Ras-like GTP-binding protein RHO1 (Gene Name=RHO1)

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