Structure of PDB 5ayy Chain E Binding Site BS01

Receptor Information
>5ayy Chain E (length=289) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDAEGLALLLPPVTLAALVDSWLREDCPGLNYAALVSGAGPSQAALWAKS
PGVLAGQPFFDAIFTQLNCQVSWFLPEGSKLVPVARVAEVRGPAHCLLLG
ERVALNTLARCSGIASAAAAAVEAARGAGWTGHVAGTRKTTPGFRLVEKY
GLLVGGAASHRYDLGGLVMVKDNHVVAAGGVEKAVRAARQAADFALKVEV
ECSSLQEAVQAAEAGADLVLLDNFKPEELHPTATVLKAQFPSVAVEASGG
ITLDNLPQFCGPHIDVISMGMLTQAAPALDFSLKLFAKE
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 chain5ayy Chain E Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ayy Structural Insights into the Quaternary Catalytic Mechanism of Hexameric Human Quinolinate Phosphoribosyltransferase, a Key Enzyme in de novo NAD Biosynthesis
Resolution3.09 Å
Binding residue
(original residue number in PDB)		T137 R138 H160 R161 M169 K171 S268
Binding residue
(residue number reindexed from 1)		T137 R138 H160 R161 M169 K171 S268
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R102 K139 K171 E201 D222
Catalytic site (residue number reindexed from 1) R102 K139 K171 E201 D222
Enzyme Commision number 2.4.2.19: nicotinate-nucleotide diphosphorylase (carboxylating).
Gene Ontology
Molecular Function
GO:0004514 nicotinate-nucleotide diphosphorylase (carboxylating) activity
GO:0005515 protein binding
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0042802 identical protein binding
Biological Process
GO:0009435 NAD biosynthetic process
GO:0019363 pyridine nucleotide biosynthetic process
GO:0019674 NAD metabolic process
GO:0034213 quinolinate catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome
GO:1902494 catalytic complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ayy, PDBe:5ayy, PDBj:5ayy
PDBsum5ayy
PubMed26805589
UniProtQ15274|NADC_HUMAN Nicotinate-nucleotide pyrophosphorylase [carboxylating] (Gene Name=QPRT)

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