Structure of PDB 2aut Chain D Binding Site BS01

Receptor Information
>2aut Chain D (length=210) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSTLNPGTNVAKLAEQAPVHWVSVAQIENSLTGRPPMAVGFDIDDTVLFS
SPGFWRGKKTYSPDSDDYLKNPAFWEKMNNGWDEFSIPKEAARQLIDMHV
RRGDSIYFVTGRSQTKTETVSKTLADNFHIPAANMNPVIFAGDKPEQNTN
VQWLQEKNMRIFYGDSDNDITAARDCGIRGIRILRAANSTYKPLPQAGAF
GEEVIVNSEY
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 chain2aut Chain D Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2aut Structural and mutational analyses reveal the functional role of active-site Lys-154 and Asp-173 of Salmonella typhimurium AphA protein.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		D46 D48 D169
Binding residue
(residue number reindexed from 1)		D42 D44 D165
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.2: acid phosphatase.
Gene Ontology
Molecular Function
GO:0003993 acid phosphatase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:2aut, PDBe:2aut, PDBj:2aut
PDBsum2aut
PubMed17570338
UniProtQ540U1|APHA_SALTM Class B acid phosphatase (Gene Name=aphA)

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