Structure of PDB 6ihr Chain A Binding Site BS01

Receptor Information
>6ihr Chain A (length=257) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HSSGLVPRGSHMEAQFFTDTGQHRDKNEDAGGIFYNQTNQQLLVLCDGMG
GHKAGEVASKFVTDELKSRFEAENLIEQHQAENWLRNNIKDINFQLYHYA
QENAEYKGMGTTCVCALVFEKSVVIANVGDSRAYVINSRQIEQITSDHSF
VNHLVLTGQITPEEAFTHPQRNIITKVMGTDKRVSPDLFIKRLNFYDYLL
LNSDGLTDYVKDNEIKRLLVKEGTIEDHGDQLMQLALDNHSKDNVTFILA
AIEGDKV
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 chain6ihr 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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PDB6ihr Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Resolution1.348 Å
Binding residue
(original residue number in PDB)		D35 D192 D231
Binding residue
(residue number reindexed from 1)		D47 D204 D243
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
Gene Ontology
Molecular Function
GO:0004722 protein serine/threonine phosphatase activity
GO:0016787 hydrolase activity
GO:0017018 myosin phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0006470 protein dephosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:6ihr, PDBe:6ihr, PDBj:6ihr
PDBsum6ihr
PubMed30868877
UniProtQ9RL81

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