Structure of PDB 7yqr Chain B Binding Site BS01

Receptor Information
>7yqr Chain B (length=458) Species: 340 (Xanthomonas campestris pv. campestris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHYLDNLLLNTDSYKASHWLQYPPGTDASFFYVESRGGVYDQTAFFGLQS
ILKEAINRPVTHADIDDAKALLAAHGEPFNEAGWRDIVDRLGGQLPIRIR
AVPEGCVVPTHNVLMTIESTDAKAFWVPSYLETLLLRVWYPVTVATVSWQ
VKQIVRDFLQRTSDDPEGQLPFKLHDFGARGVSSLGSAALGGAAHLVNFL
GTDTLSALLLARAHYHTPVAGYSIPAAEHSTITSWGREREVDAYRNMLTQ
IVAVVSDSYDIYRAIREHWGTTLREEIIASGATVVIRPDSGDPVDVVEQC
LLLLDEAFGHQVNGKGYKVLNHVRVIQGDGINPQSLRAILERITAAGYAA
DNVAFGMGGALLQKVDRDTQKFALKCSAVRVDGAWIDVYKDPITQSKRGR
LTLLRDRATGQYRSALLDEVATHAGDSDDALVTVWENGQMLREWTLEQVR
AHADAARL
Ligand information
Ligand IDNCA
InChIInChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKeyDFPAKSUCGFBDDF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cnc1)C(=O)N
CACTVS 3.341NC(=O)c1cccnc1
ACDLabs 10.04O=C(N)c1cccnc1
FormulaC6 H6 N2 O
NameNICOTINAMIDE
ChEMBLCHEMBL1140
DrugBankDB02701
ZINCZINC000000005878
PDB chain7yqr Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7yqr Structure of Xanthomonas campestris pv. campestris Nicotinamide Phosphoribosyltransferase: insights into bacterial NAD+ biosynthesis from the salvage pathway
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D12 Y14
Binding residue
(residue number reindexed from 1)		D12 Y14
Annotation score5
Enzymatic activity
Enzyme Commision number 2.4.2.12: nicotinamide phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0047280 nicotinamide phosphoribosyltransferase activity
Biological Process
GO:0009435 NAD biosynthetic process
GO:0019363 pyridine nucleotide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7yqr, PDBe:7yqr, PDBj:7yqr
PDBsum7yqr
PubMed38429435
UniProtA0A0H2X5R2

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