Structure of PDB 7b67 Chain A Binding Site BS02

Receptor Information
>7b67 Chain A (length=154) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVGVGVGVVVTSCKHPRCVLLGKRKGSVGAGSFQLPGGHLEFGETWEECA
QRETWEEAALHLKNVHFASVVNSFIEKENYHYVTILMKGEVDVTHDSEPK
NVEPEKNESWEWVPWEELPPLDQLFWGLRCLKEQGYDPFKEDLNHLVGYK
GNHL
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 chain7b67 Chain A Residue 203 [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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PDB7b67 Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		E65 E69
Binding residue
(residue number reindexed from 1)		E53 E57
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.9: nucleotide diphosphatase.
External links
PDB RCSB:7b67, PDBe:7b67, PDBj:7b67
PDBsum7b67
PubMed33753169
UniProtQ9NV35|NUD15_HUMAN Nucleotide triphosphate diphosphatase NUDT15 (Gene Name=NUDT15)

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