X-ray diffraction
1.95Å resolution

Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-(4-nitrophenyl)acetamide

Entry authors: Levy C, Munro AW, Leys D

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Putative cytochrome P450 126 Chains: A, B
Molecule details ›
Chains: A, B
Length: 414 amino acids
Theoretical weight: 46.01 KDa
Source organism: Mycobacterium tuberculosis CDC1551
Expression system: Escherichia coli
  • Canonical: P9WPN8 (Residues: 1-414; Coverage: 100%)
Gene names: MT0802, cyp126
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 69.62Å b: 59.66Å c: 118.47Å
α: 90° β: 98.03° γ: 90°
R R work R free
0.189 0.186 0.242
Expression system: Escherichia coli