› 4rpi

X-ray diffraction
2.42Å resolution

Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase from Mycobacterium tuberculosis

Released:
DOI: 10.2210/pdb4rpi/pdb
PDB entry 4rpi coloured by chain, front view.
PDB entry 4rpi coloured by chain, side view.
PDB entry 4rpi coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Mycobacterial nicotinate mononucleotide adenylyltransferase: structure, mechanism, and implications for drug discovery.
Rodionova IA, Zuccola HJ, Sorci L, Aleshin AE, Kazanov MD, Ma CT, Sergienko E, Rubin EJ, Locher CP, Osterman AL
J Biol Chem 290 7693-706 (2015)
PMID: 25631047

Function and Biology Details

Reaction catalysed: 
ATP + beta-nicotinate-D-ribonucleotide = diphosphate + deamido-NAD(+)
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161693 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Probable nicotinate-nucleotide adenylyltransferase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 223 amino acids
Theoretical weight: 24.19 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WJJ5 (Residues: 4-214; Coverage: 99%)
Gene names: MTCY428.26, Rv2421c, nadD
Sequence domains: Cytidylyltransferase-like
Structure domains: HUPs

Ligands and Environments

2 bound ligands:
Ligand EPE 4 x EPE
Ligand DMS 7 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P212121
Unit cell:
a: 48.98Å b: 124.13Å c: 140.35Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.231 0.229 0.258
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

The Prospective Synergy of Antitubercular Drugs With NAD Biosynthesis Inhibitors.
Rohde et al. (2020)
8 other articles

2 mentions without citation

Mycobacterial nicotinate mononucleotide adenylyltransferase: structure, mechanism, and implications for drug discovery.
Rodionova et al. (2015)
1 more