› 2ntv

X-ray diffraction
2.1Å resolution

Mycobacterium leprae InhA bound with PTH-NAD adduct

Released:
DOI: 10.2210/pdb2ntv/pdb
PDB entry 2ntv coloured by chain, front view.
PDB entry 2ntv coloured by chain, side view.
PDB entry 2ntv coloured by chain, top view.
Source organism: Mycobacterium leprae
Primary publication:
Mechanism of thioamide drug action against tuberculosis and leprosy.
Wang F, Langley R, Gulten G, Dover LG, Besra GS, Jacobs WR, Sacchettini JC
J Exp Med 204 73-8 (2007)
PMID: 17227913

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:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189950 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-[acyl-carrier-protein] reductase [NADH] Chains: A, B
Molecule details ›
Chains: A, B
Length: 268 amino acids
Theoretical weight: 28.6 KDa
Source organism: Mycobacterium leprae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9CBM1 (Residues: 2-269; Coverage: 100%)
Gene names: ML1806, inhA
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand P1H 2 x P1H
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: I212121
Unit cell:
a: 91.232Å b: 100.019Å c: 186.622Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.22 0.219 0.244
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

38 review citations

Molecular basis and mechanisms of drug resistance in Mycobacterium tuberculosis: classical and new drugs.
Almeida Da Silva et al. (2011)
37 more

1 mention without citation

Structure-Guided Computational Approaches to Unravel Druggable Proteomic Landscape of Mycobacterium leprae.
Vedithi et al. (2021)