› 2ij5

X-ray diffraction
1.6Å resolution

Crystal structure of cytochrome P450 CYP121, P212121 space group

Released:
DOI: 10.2210/pdb2ij5/pdb
PDB entry 2ij5 coloured by chain, front view.
PDB entry 2ij5 coloured by chain, side view.
PDB entry 2ij5 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode.
Seward HE, Roujeinikova A, McLean KJ, Munro AW, Leys D
J Biol Chem 281 39437-43 (2006)
PMID: 17028183

Function and Biology Details

Reaction catalysed: 
Cyclo(L-tyrosyl-L-tyrosyl) + 2 reduced ferredoxin [iron-sulfur] cluster + 2 H(+) + O(2) = mycocyclosin + 2 oxidized ferredoxin [iron-sulfur] cluster + 2 H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162003 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mycocyclosin synthase Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 396 amino acids
Theoretical weight: 43.31 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Not provided
UniProt:
  • Canonical: P9WPP7 (Residues: 1-396; Coverage: 100%)
Gene names: MTCY339.34c, Rv2276, cyp121
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
Ligand SO4 6 x SO4
Ligand HEM 6 x HEM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-3
Spacegroup: P212121
Unit cell:
a: 60.627Å b: 129.758Å c: 323.757Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.165 0.21
Expression system: Not provided

Quick links

Citations

14 review citations

Antituberculosis drugs: ten years of research.
Janin YL. (2007)
13 more

3 mentions without citation

The NMDA receptor NR1 C1 region bound to calmodulin: structural insights into functional differences between homologous domains.
Ataman et al. (2007)
2 more