Structure of PDB 4fe3 Chain A Binding Site BS01

Receptor Information
>4fe3 Chain A (length=291) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVHLKMMPEFQKSSVRIKNPTRVEEIICGLIKGGAAKLQIITDFNMTLSR
FSYNGKRCPTCHNIIDNCKLVTDECRRKLLQLKEQYYAIEVDPVLTVEEK
FPYMVEWYTKSHGLLIEQGIPKAKLKEIVADSDVMLKEGYENFFGKLQQH
GIPVFIFSAGIGDVLEEVIRQAGVYHSNVKVVSNFMDFDENGVLKGFKGE
LIHVFNKHDGALKNTDYFSQLKDNSNIILLGDSQGDLRMADGVANVEHIL
KIGYLNDRVDELLEKYMDSYDIVLVKEESLEVVNSILQKTL
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 chain4fe3 Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4fe3 Structural Basis of Substrate Specificity and Selectivity of Murine Cytosolic 5'-Nucleotidase III.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		D49 N51 D238
Binding residue
(residue number reindexed from 1)		D43 N45 D232
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.5: 5'-nucleotidase.
3.1.3.91: 7-methylguanosine nucleotidase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008253 5'-nucleotidase activity
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:4fe3, PDBe:4fe3, PDBj:4fe3
PDBsum4fe3
PubMed22925580
UniProtQ9D020|5NT3A_MOUSE Cytosolic 5'-nucleotidase 3A (Gene Name=Nt5c3a)

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