› 7kli

X-ray diffraction
1.75Å resolution

Crystal Structure of Enoyl-[acyl-carrier-protein] reductase [NADH] (InhA) from Mycobacterium abscessus

Released:
DOI: 10.2210/pdb7kli/pdb
PDB entry 7kli coloured by chain, front view.
PDB entry 7kli coloured by chain, side view.
PDB entry 7kli coloured by chain, top view.
Source organism: Mycobacteroides abscessus ATCC 19977
Primary publication:
Efficacy and Mode of Action of a Direct Inhibitor of Mycobacterium abscessus InhA.
Alcaraz M, Roquet-Banères F, Leon-Icaza SA, Abendroth J, Boudehen YM, Cougoule C, Edwards TE, Kremer L
ACS Infect Dis (2022)
PMID: 36107992

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-109333 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-[acyl-carrier-protein] reductase [NADH] Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 277 amino acids
Theoretical weight: 29.7 KDa
Source organism: Mycobacteroides abscessus ATCC 19977
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: B1MC30 (Residues: 1-269; Coverage: 100%)
Gene name: MAB_2722c
Sequence domains: Enoyl-(Acyl carrier protein) reductase

Ligands and Environments

2 bound ligands:
Ligand EDO 6 x EDO
Ligand SO4 8 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 78.84Å b: 98.03Å c: 147Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.206 0.233
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

New therapeutic strategies for Mycobacterium abscessus pulmonary diseases - untapping the mycolic acid pathway.
Alcaraz et al. (2023)
3 other articles