Structure of PDB 1qpr Chain D Binding Site BS01

Receptor Information

>1qpr Chain D (length=284) Species: 83332 (Mycobacterium tuberculosis H37Rv)

GLSDWELAAARAAIARGLDEDLRYGPDVTTLATVPASATTTASLVTREAG
VVAGLDVALLTLNEVLGTNGYRVLDRVEDGARVPPGEALMTLEAQTRGLL
TAERTMLNLVGHLSGIATATAAWVDAVRGTKAKIRDTRKTLPGLRALQKY
AVRTGGGVNHRLGLGDAALIKDNHVAAAGSVVDALRAVRNAAPDLPCEVE
VDSLEQLDAVLPEKPELILLDNFAVWQTQTAVQRRDSRAPTVMLESSGGL
SLQTAATYAETGVDYLAVGALTHSVRVLDIGLDM

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 1qpr Chain D Residue 287

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1qpr Crystal structure of quinolinic acid phosphoribosyltransferase from Mycobacterium tuberculosis: a potential TB drug target.
• Resolution: 2.45 Å
• Binding residue (original residue number in PDB): E201 D222
• Binding residue (residue number reindexed from 1): E200 D221
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R105 K140 K172 E201 D222
• Catalytic site (residue number reindexed from 1): R104 K139 K171 E200 D221
• 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
• GO:0005886 plasma membrane
• GO:0009274 peptidoglycan-based cell wall

External links

• PDB: RCSB:1qpr, PDBe:1qpr, PDBj:1qpr
• PDBsum: 1qpr
• PubMed: 9862811
• UniProt: P9WJJ7|NADC_MYCTU Nicotinate-nucleotide pyrophosphorylase [carboxylating] (Gene Name=nadC)