Structure of PDB 3c2o Chain A Binding Site BS01

Receptor Information
>3c2o Chain A (length=265) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVYEHLLPVNGAWRQDVTNWLSEDVPSFDFGGYVVGSDLKEANLYCKQDG
MLCGVPFAQEVFNQCELQVEWLFKEGSFLEPSKNDSGKIVVAKITGPAKN
ILLAERTALNILSRSSGIATASHKIISLARSTGYKGTIAGTRKTTPGLRR
LEKYSMLVGGCDTHRYDLSSMVMLKDNHIWATGSITNAVKNARAVCGFAV
KIEVECLSEDEATEAIEAGADVIMLDNHFLLECSGGLNLCDDIDIYSTSS
IHQGTPVIDFSLKLA
Ligand information
Ligand IDNTM
InChIInChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKeyGJAWHXHKYYXBSV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(nc1)C(=O)O)C(=O)O
CACTVS 3.341OC(=O)c1cccnc1C(O)=O
ACDLabs 10.04O=C(O)c1ncccc1C(=O)O
FormulaC7 H5 N O4
NameQUINOLINIC ACID
ChEMBLCHEMBL286204
DrugBankDB01796
ZINCZINC000000331671
PDB chain3c2o Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3c2o Comprehensive X-ray Structural Studies of the Quinolinate Phosphoribosyl Transferase (BNA6) from Saccharomyces cerevisiae.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		T142 R143 H165 R166 M174 S276
Binding residue
(residue number reindexed from 1)		T141 R142 H164 R165 M173 S247
Annotation score5
Binding affinityMOAD: Kd=0.45mM
PDBbind-CN: -logKd/Ki=3.35,Kd=0.45mM
Enzymatic activity
Catalytic site (original residue number in PDB) R107 K144 K176 E206 D227
Catalytic site (residue number reindexed from 1) R106 K143 K175 E205 D226
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
GO:0034354 'de novo' NAD biosynthetic process from tryptophan
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Biological Process
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Cellular Component
External links
PDB RCSB:3c2o, PDBe:3c2o, PDBj:3c2o
PDBsum3c2o
PubMed18321072
UniProtP43619|NADC_YEAST Nicotinate-nucleotide pyrophosphorylase [carboxylating] (Gene Name=BNA6)

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