Structure of PDB 6g2n Chain A Binding Site BS01

Receptor Information
>6g2n Chain A (length=192) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVRVLVDMDGVLADFEAGLLRGFRRRFPEEPHVPLEQRRGFLAREQYRAL
RPDLADKVASVYEAPGFFLDLEPIPGALDAVREMNDLPDTQVFICTSPLL
KYHHCVGEKYRWVEQHLGPQFVERIILTRDKTVVLGDLLIDDKDTVRGQE
ETPSWEHILFTCCHNRHLVLPPTRRRLLSWSDNWREILDSKR
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 chain6g2n Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6g2n Structure-based optimization of bisphosphonate nucleoside inhibitors of human 5'(3')-deoxyribonucleotidases
Resolution1.4 Å
Binding residue
(original residue number in PDB)		D14 D16 D149
Binding residue
(residue number reindexed from 1)		D7 D9 D142
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008252 nucleotidase activity
GO:0008253 5'-nucleotidase activity
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0019103 pyrimidine nucleotide binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0050483 IMP 5'-nucleotidase activity
Biological Process
GO:0000255 allantoin metabolic process
GO:0006204 IMP catabolic process
GO:0006249 dCMP catabolic process
GO:0009117 nucleotide metabolic process
GO:0009223 pyrimidine deoxyribonucleotide catabolic process
GO:0009264 deoxyribonucleotide catabolic process
GO:0016311 dephosphorylation
GO:0043605 amide catabolic process
GO:0046050 UMP catabolic process
GO:0046055 dGMP catabolic process
GO:0046074 dTMP catabolic process
GO:0046079 dUMP catabolic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6g2n, PDBe:6g2n, PDBj:6g2n
PDBsum6g2n
PubMed
UniProtQ8TCD5|NT5C_HUMAN 5'(3')-deoxyribonucleotidase, cytosolic type (Gene Name=NT5C)

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