Structure of PDB 3dpc Chain A Binding Site BS01

Receptor Information
>3dpc Chain A (length=449) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEMPVLENRAAQGDITAPGGARRLTGDQTAALRDSLSDKPAKNIILLIGD
GMGDSEITAARNYAEGAGGFFKGIDALPLTGQYTHYALNKKTGKPDYVTD
LAASATAWSTGVKTYNGALGVDIHEKDHPTILEMAKAAGLATGNVSTAEL
QDATPAALVAHVTSRKCYGPSATSEKCPGNALEKGGKGSITEQLLNARAD
VTLGGGAKTFAETATAGEWQGKTLREQAQARGYQLVSDAASLNSVTEANQ
QKPLLGLFADGNMPVRWLGPKATYHGNIDKPAVTCTPNPQRNDSVPTLAQ
MTDKAIELLSKNEKGFFLQVEGASIDKQDHAANPCGQIGETVDLDEAVQR
ALEFAKKEGNTLVIVTADHAHASQIVAPDTKAPGLTQALNTKDGAVMVMS
YGNSEEDSQEHTGSQLRIAAYGPHAANVVGLTDQTDLFYTMKAALGLKH
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 chain3dpc Chain A Residue 456 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3dpc Development of a universal phosphorylated peptide-binding protein for simultaneous assay of kinases
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L102 R166 H412
Binding residue
(residue number reindexed from 1)		L101 R165 H411
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D51 L102 D153 T155 R166 E322 D327 K328 H331 D369 H370 H412
Catalytic site (residue number reindexed from 1) D50 L101 D152 T154 R165 E321 D326 K327 H330 D368 H369 H411
Enzyme Commision number 3.1.3.1: alkaline phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004035 alkaline phosphatase activity
GO:0004721 phosphoprotein phosphatase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0030613 oxidoreductase activity, acting on phosphorus or arsenic in donors
GO:0033748 hydrogenase (acceptor) activity
GO:0046872 metal ion binding
Biological Process
GO:0006470 protein dephosphorylation
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3dpc, PDBe:3dpc, PDBj:3dpc
PDBsum3dpc
PubMed19349157
UniProtP00634|PPB_ECOLI Alkaline phosphatase (Gene Name=phoA)

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