Structure of PDB 7mu5 Chain A Binding Site BS01

Receptor Information
>7mu5 Chain A (length=110) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRFSFSPEPTLEDIRRLHAEFAAERDWEQFHQPRNLLLALVGEVGELAEL
FQWKTDGEPGPQGWSPRERAALQEELSDVLIYLVALAARCRVDLPLAVLS
KMDINRRRYP
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 chain7mu5 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mu5 Triptolide sensitizes cancer cells to nucleoside DNA methyltransferase inhibitors through inhibition of DCTPP1 mediated cell-intrinsic resistance
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E63 E66 E95 D98
Binding residue
(residue number reindexed from 1)		E43 E46 E75 D78
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.12: dCTP diphosphatase.
Gene Ontology
Molecular Function
GO:0047429 nucleoside triphosphate diphosphatase activity
Biological Process
GO:0009143 nucleoside triphosphate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7mu5, PDBe:7mu5, PDBj:7mu5
PDBsum7mu5
PubMed
UniProtQ9H773|DCTP1_HUMAN dCTP pyrophosphatase 1 (Gene Name=DCTPP1)

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