Structure of PDB 3tqv Chain B Binding Site BS02

Receptor Information
>3tqv Chain B (length=280) Species: 177416 (Francisella tularensis subsp. tularensis SCHU S4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTDQINKVPNDIVTRLVRESLAEDIATGDITAQLAEDIDTTAFCITREEM
ILCGQDFANEVINQLDKNIQITWLYSDAQKVPANARIFELKGNVRSILTA
ERTILNFIQMLSGTATVTNKLVKLISQYKTKLLDTRKTIPGFRLAQKYAV
RCGGGFNHRIGLFDAYLIKENHIRSAGGIAKAVTKAKKLDSNKVVEVEVT
NLDELNQAIAAKADIVMLDNFSGEDIDIAVSIARGKVALEVSGNIDRNSI
VAIAKTGVDFISVGAITKHIKAIDLSLQVQ
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 chain3tqv Chain B Residue 289 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tqv Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction.
Resolution2.62 Å
Binding residue
(original residue number in PDB)		T141 R142 H164 R165 L173
Binding residue
(residue number reindexed from 1)		T135 R136 H158 R159 L167
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R108 K143 K175 E204 D225
Catalytic site (residue number reindexed from 1) R102 K137 K169 E198 D219
Enzyme Commision number 2.4.2.19: nicotinate-nucleotide diphosphorylase (carboxylating).
Gene Ontology
Molecular Function
GO:0004514 nicotinate-nucleotide diphosphorylase (carboxylating) activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
Biological Process
GO:0009435 NAD biosynthetic process
GO:0019363 pyridine nucleotide biosynthetic process
GO:0034213 quinolinate catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3tqv, PDBe:3tqv, PDBj:3tqv
PDBsum3tqv
PubMed23704901
UniProtQ5NEY8

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