› 2aqi

X-ray diffraction
2.2Å resolution

Crystal structure of Isoniazid-resistant I47T Enoyl-ACP(CoA) reductase mutant enzyme from Mycobacterium tuberculosis in complex with NADH

Released:
DOI: 10.2210/pdb2aqi/pdb
PDB entry 2aqi coloured by chain, front view.
PDB entry 2aqi coloured by chain, side view.
PDB entry 2aqi coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Crystallographic and pre-steady-state kinetics studies on binding of NADH to wild-type and isoniazid-resistant enoyl-ACP(CoA) reductase enzymes from Mycobacterium tuberculosis.
Oliveira JS, Pereira JH, Canduri F, Rodrigues NC, de Souza ON, de Azevedo WF, Basso LA, Santos DS
J Mol Biol 359 646-66 (2006)
PMID: 16647717

Function and Biology Details

Reaction catalysed: 
An acyl-[acyl-carrier protein] + NAD(+) = a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161512 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-[acyl-carrier-protein] reductase [NADH] Chain: A
Molecule details ›
Chain: A
Length: 269 amino acids
Theoretical weight: 28.54 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WGR1 (Residues: 1-269; Coverage: 100%)
Gene names: MTCY277.05, Rv1484, inhA
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAI 1 x NAI
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LNLS BEAMLINE D03B-MX1
Spacegroup: P6222
Unit cell:
a: 95.44Å b: 95.44Å c: 138.71Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.187 0.186 0.213
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

The resumption of consumption -- a review on tuberculosis.
Ducati et al. (2006)
3 more

2 mentions without citation

Bioactive pyrrole-based compounds with target selectivity.
Li Petri et al. (2020)
1 more