Structure of PDB 1q92 Chain A Binding Site BS01

Receptor Information
>1q92 Chain A (length=195) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRALRVLVDMDGVLADFEGGFLRKFRARFPDQPFIALEDRRGFWVSEQYG
RLRPGLSEKAISIWESKNFFFELEPLPGAVEAVKEMASLQNTDVFICTSP
IKMFKYCPYEKYAWVEKYFGPDFLEQIVLTRDKTVVSADLLIDDRPDITG
AEPTPSWEHVLFTACHNQHLQLQPPRRRLHSWADDWKAILDSKRP
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 chain1q92 Chain A Residue 1003 [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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PDB1q92 Crystal structures of the mitochondrial deoxyribonucleotidase in complex with two specific inhibitors
Resolution1.4 Å
Binding residue
(original residue number in PDB)		D41 D43 D176
Binding residue
(residue number reindexed from 1)		D9 D11 D144
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D41 D43 D176
Catalytic site (residue number reindexed from 1) D9 D11 D144
Enzyme Commision number 3.1.3.-
Gene Ontology
Molecular Function
GO:0008253 5'-nucleotidase activity
Biological Process
GO:0009264 deoxyribonucleotide catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1q92, PDBe:1q92, PDBj:1q92
PDBsum1q92
PubMed15044615
UniProtQ9NPB1|NT5M_HUMAN 5'(3')-deoxyribonucleotidase, mitochondrial (Gene Name=NT5M)

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