Structure of PDB 4nfl Chain A Binding Site BS01

Receptor Information
>4nfl Chain A (length=201) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAASGGRALRVLVDMDGVLADFEGGFLRKFRARFPDQPFIALEDRRGFW
VSEQYGRLRPGLSEKAISIWESKNFFFELEPLPGAVEAVKEMASLQNTDV
FICTSPIKMFKYCPYEKYAWVEKYFGPDFLEQIVLTRDKTVVSADLLIDD
RPDITGAEPTPSWEHVLFTACHNQHLQLQPPRRRLHSWADDWKAILDSKR
P
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 chain4nfl 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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PDB4nfl Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases.
Resolution1.375 Å
Binding residue
(original residue number in PDB)		D41 D43 D176
Binding residue
(residue number reindexed from 1)		D15 D17 D150
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D41 D43 D176
Catalytic site (residue number reindexed from 1) D15 D17 D150
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:4nfl, PDBe:4nfl, PDBj:4nfl
PDBsum4nfl
PubMed25178098
UniProtQ9NPB1|NT5M_HUMAN 5'(3')-deoxyribonucleotidase, mitochondrial (Gene Name=NT5M)

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