› 4d0r

X-ray diffraction
2.75Å resolution

Mtb InhA complex with Pyradizinone compound 1

Released:
DOI: 10.2210/pdb4d0r/pdb
PDB entry 4d0r coloured by chain, front view.
PDB entry 4d0r coloured by chain, side view.
PDB entry 4d0r coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Entry authors: Read JA, Gingell H, Madhavapeddi P, Lange S

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: 28.56 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21
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 NAD 1 x NAD
1 bound ligand:
Ligand 41I 1 x 41I
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E
Spacegroup: P6222
Unit cell:
a: 96.997Å b: 96.997Å c: 139.137Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.218 0.217 0.242
Expression system: Escherichia coli BL21

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