› 2nv6

X-ray diffraction
1.9Å resolution

Mycobacterium tuberculosis InhA (S94A) bound with INH-NAD adduct

Released:
DOI: 10.2210/pdb2nv6/pdb
PDB entry 2nv6 coloured by chain, front view.
PDB entry 2nv6 coloured by chain, side view.
PDB entry 2nv6 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Transfer of a point mutation in Mycobacterium tuberculosis inhA resolves the target of isoniazid.
Vilchèze C, Wang F, Arai M, Hazbón MH, Colangeli R, Kremer L, Weisbrod TR, Alland D, Sacchettini JC, Jacobs WR
Nat Med 12 1027-9 (2006)
PMID: 16906155

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 domain:

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: 268 amino acids
Theoretical weight: 28.38 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WGR1 (Residues: 3-269; Coverage: 99%)
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 ZID 1 x ZID
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P6222
Unit cell:
a: 98.278Å b: 98.278Å c: 139.243Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.201 0.201 0.228
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

40 review citations

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

7 mentions without citation

Resistance Mechanisms and the Future of Bacterial Enoyl-Acyl Carrier Protein Reductase (FabI) Antibiotics.
Yao et al. (2016)
6 more