Structure of PDB 7b63 Chain A Binding Site BS02

Receptor Information
>7b63 Chain A (length=156) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRRPGVGVGVVVTSCKHPRCVLLGKRKGSVGAGSFQLPGGHLEFGETWEE
CAQRETWEEAALHLKNVHFASVVNSFIEKENYHYVTILMKGEVDVTHDSE
PKNVEPEKNESWEWVPWEELPPLDQLFWGLRCLKEQGYDPFKEDLNHLVG
YKGNHL
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 chain7b63 Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7b63 Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		E63 E67
Binding residue
(residue number reindexed from 1)		E55 E59
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.9: nucleotide diphosphatase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008413 8-oxo-7,8-dihydroguanosine triphosphate pyrophosphatase activity
GO:0016787 hydrolase activity
GO:0035539 8-oxo-7,8-dihydrodeoxyguanosine triphosphate pyrophosphatase activity
GO:0044715 8-oxo-dGDP phosphatase activity
GO:0046872 metal ion binding
GO:0047429 nucleoside triphosphate diphosphatase activity
Biological Process
GO:0000278 mitotic cell cycle
GO:0000302 response to reactive oxygen species
GO:0006195 purine nucleotide catabolic process
GO:0006203 dGTP catabolic process
GO:0009217 purine deoxyribonucleoside triphosphate catabolic process
GO:0042178 xenobiotic catabolic process
GO:0042262 DNA protection
GO:0055086 nucleobase-containing small molecule metabolic process
GO:0061136 regulation of proteasomal protein catabolic process
GO:1901292 nucleoside phosphate catabolic process
Cellular Component
GO:0005829 cytosol

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Cellular Component
External links
PDB RCSB:7b63, PDBe:7b63, PDBj:7b63
PDBsum7b63
PubMed33753169
UniProtQ9NV35|NUD15_HUMAN Nucleotide triphosphate diphosphatase NUDT15 (Gene Name=NUDT15)

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