Structure of PDB 2j4e Chain G Binding Site BS02

Receptor Information
>2j4e Chain G (length=186) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMAASLVGKKIVFVTGNAKKLEEVVQILGDKFPCTLVAQKIDLPEYQGEP
DEISIQKCQEAVRQVQGPVLVEDTCLCFNALGGLPGPYIKWFLEKLKPEG
LHQLLAGFEDKSAYALCTFALSTPVRLFRGRTSGRIVAPRGCQDFGWDPC
FQPDGYEQTYAEMPKAEKNAVSHRFRALLELQEYFG
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 chain2j4e Chain G Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2j4e Crystal Structure of Human Inosine Triphosphatase: Substrate Binding and Implication of the Inosine Triphosphatase Deficiency Mutation P32T.
Resolution2.8 Å
Binding residue
(original residue number in PDB)
E44 K89
Binding residue
(residue number reindexed from 1)
E45 K90
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.9: nucleotide diphosphatase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016787 hydrolase activity
GO:0035870 dITP diphosphatase activity
GO:0036220 ITP diphosphatase activity
GO:0036222 XTP diphosphatase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0047429 nucleoside triphosphate diphosphatase activity
Biological Process
GO:0006193 ITP catabolic process
GO:0009117 nucleotide metabolic process
GO:0009143 nucleoside triphosphate catabolic process
GO:0009204 deoxyribonucleoside triphosphate catabolic process
GO:0051276 chromosome organization
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0043231 intracellular membrane-bounded organelle

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Cellular Component
External links
PDB RCSB:2j4e, PDBe:2j4e, PDBj:2j4e
PDBsum2j4e
PubMed17138556
UniProtQ9BY32|ITPA_HUMAN Inosine triphosphate pyrophosphatase (Gene Name=ITPA)

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