Structure of PDB 3pu9 Chain B Binding Site BS02

Receptor Information
>3pu9 Chain B (length=236) Species: 479434 (Sphaerobacter thermophilus DSM 20745) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPVTIELAVAKTHKFGTRESGDTVELVERPGGGFSAVLVDGQGSGAGAKR
LSLLVAGAAVRLLNEGVRDGAAARAAHDFLYAMRDGKVSAALDILSVDLA
SRSVLVTRNSEVPMLLGRNGEFEQISESGGRIGIYRHTRPRVLEFPAEPG
LTVILVSDGIIGAGGRRGQPLEFLATGGRVAGPETPAQAIADELLEAALV
ADDGRAGDDMTVVVLRLRNVEEVEPIRRMALTVPLG
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 chain3pu9 Chain B Residue 302 [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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PDB3pu9 Crystal structure of serine/threonine phosphatase Sphaerobacter thermophilus DSM 20745
Resolution1.55 Å
Binding residue
(original residue number in PDB)		D43 G44
Binding residue
(residue number reindexed from 1)		D40 G41
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3pu9, PDBe:3pu9, PDBj:3pu9
PDBsum3pu9
PubMed
UniProtD1C2D8

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