Structure of PDB 1ywf Chain A Binding Site BS01

Receptor Information
>1ywf Chain A (length=241) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RELPGAWNFRDVADTATALRPGRLFRSSELSRLDDAGRATLRRLGITDVA
DLRSSREVARRGPGRVPDGIDVHLLPFPDLADSINDAATRYMTDEYRQFP
TRNGAQRALHRVVTLLAAGRPVLTHCFAGKDRTGFVVALVLEAVGLDRDV
IVADYLRSNDSVPQLRARISEMIQQRFDTELAPEVVTFTKARLSDGVLGV
RAEYLAAARQTIDETYGSLGGYLRDAGISQATVNRMRGVLL
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1ywf Chain A Residue 277 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ywf Mycobacterium tuberculosis Protein Tyrosine Phosphatase PtpB Structure Reveals a Diverged Fold and a Buried Active Site.
Resolution1.71 Å
Binding residue
(original residue number in PDB)		C160 A162 K164 D165 R166 E218
Binding residue
(residue number reindexed from 1)		C126 A128 K130 D131 R132 E184
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004438 phosphatidylinositol-3-phosphate phosphatase activity
GO:0004721 phosphoprotein phosphatase activity
GO:0004722 protein serine/threonine phosphatase activity
GO:0004725 protein tyrosine phosphatase activity
GO:0016791 phosphatase activity
GO:0034594 phosphatidylinositol trisphosphate phosphatase activity
Biological Process
GO:0016311 dephosphorylation
GO:0051701 biological process involved in interaction with host
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ywf, PDBe:1ywf, PDBj:1ywf
PDBsum1ywf
PubMed16271885
UniProtP96830

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