Structure of PDB 2vkq Chain A Binding Site BS02

Receptor Information
>2vkq Chain A (length=273) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPTRVEEIICGLIKGGAAKLQIITDFDMTLSRFSYKGKRCPTCHNIIDNC
KLVTDECRKKLLQLKEKYYAIEVDPVLTVEEKYPYMVEWYTKSHGLLVQQ
ALPKAKLKEIVAESDVMLKEGYENFFDKLQQHSIPVFIFSAGIGDVLEEV
IRQAGVYHPNVKVVSNFMDFDETGVLKGFKGELIHVFNKHDGALRNTEYF
NQLKDNSNIILLGDSQGDLRMADGVANVEHILKIGYLNDRVDELLEKYMD
SYDIVLVQDESLEVANSILQKIL
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 chain2vkq Chain A Residue 1288 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vkq Crystal Structure of Human Cytosolic 5'- Nucleotidase II: Insights Into Allosteric Regulation and Substrate Recognition
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D38 D40 D227
Binding residue
(residue number reindexed from 1)		D25 D27 D214
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

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:2vkq, PDBe:2vkq, PDBj:2vkq
PDBsum2vkq
PubMed
UniProtQ9H0P0|5NT3A_HUMAN Cytosolic 5'-nucleotidase 3A (Gene Name=NT5C3A)

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