Structure of PDB 8wmy Chain B Binding Site BS02

Receptor Information
>8wmy Chain B (length=194) Species: 1279 (Staphylococcus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYEDYLPYSRTELLAKIAEQMSPKRFKHVLGVEKAALSLAECYGCNPDKA
GLAALLHDYAKECPDQVFLDLIDKYQLSPELAKWNNNVWHGMVGIYKIQE
DLGLKDKDILRAIEIHTVGAAEMTLLDKVLYVADYIEEGRIFPLVDDARK
IAKLDLNQAVAYETVNTVAYLASKAQPIFPQTLDTYNAFCSYLK
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 chain8wmy Chain B Residue 202 [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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PDB8wmy Molecular Mechanism of Ap4A Hydrolysis by YqeK of Staphylococcus pyogenes.
Resolution1.91 Å
Binding residue
(original residue number in PDB)		D59 H91 H117
Binding residue
(residue number reindexed from 1)		D58 H90 H116
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.41: bis(5'-nucleosyl)-tetraphosphatase (symmetrical).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8wmy, PDBe:8wmy, PDBj:8wmy
PDBsum8wmy
PubMed
UniProtA0A4U7IGH6

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