Structure of PDB 5c66 Chain A Binding Site BS04

Receptor Information
>5c66 Chain A (length=441) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRAAQGDITAPGGARRLTGDQTAALRDSLSDKPAKNIILLIGDGMGDSEI
TAARNYAEGAGGFFKGIDALPLTGQYTHYALNKKTGKPDYVTDSAASATA
WSTGVKTYNGALGVDIHEKDHPTILEMAKAAGLATGNVSTAELQDATPAA
LVAHVTSRKCYGPSATSEKCPGNALEKGGKGSITEQLLNARADVTLGGGA
KTFAETATAGEWQGKTLREQAQARGYQLVSDAASLNSVTEANQQKPLLGL
FADGNMPVRWLGPKATYHGNIDKPAVTCTPNPQRNDSVPTLAQMTDKAIE
LLSKNEKGFFLQVEGASIDKQDHAANPCGQIGETVDLDEAVQRALEFAKK
EGNTLVIVTADHAHASQIVAPDTKAPGLTQALNTKDGAVMVMSYGNSEED
SQEHTGSQLRIAAYGPHAANVVGLTDQTDLFYTMKAALGLK
Ligand information
Ligand IDWO4
InChIInChI=1S/4O.W/q;;2*-1;
InChIKeyPBYZMCDFOULPGH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-][W](=O)(=O)[O-]
ACDLabs 10.04
CACTVS 3.341		[O-][W]([O-])(=O)=O
FormulaO4 W
NameTUNGSTATE(VI)ION
ChEMBL
DrugBank
ZINC
PDB chain5c66 Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5c66 Tungstate as a Transition State Analog for Catalysis by Alkaline Phosphatase.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		D51 D101 S102 R166 D327 H331 H370 H412
Binding residue
(residue number reindexed from 1)		D43 D93 S94 R158 D319 H323 H362 H404
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D51 S102 D153 T155 R166 E322 D327 K328 H331 D369 H370 H412
Catalytic site (residue number reindexed from 1) D43 S94 D145 T147 R158 E314 D319 K320 H323 D361 H362 H404
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:5c66, PDBe:5c66, PDBj:5c66
PDBsum5c66
PubMed27189921
UniProtP00634|PPB_ECOLI Alkaline phosphatase (Gene Name=phoA)

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