› 4ips

X-ray diffraction
1.2Å resolution

Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121

Released:
DOI: 10.2210/pdb4ips/pdb
PDB entry 4ips coloured by chain, front view.
PDB entry 4ips coloured by chain, side view.
PDB entry 4ips coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121: insights from biochemical studies and crystal structures.
Fonvielle M, Le Du MH, Lequin O, Lecoq A, Jacquet M, Thai R, Dubois S, Grach G, Gondry M, Belin P
J Biol Chem 288 17347-59 (2013)
PMID: 23620594

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 analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-162003 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mycocyclosin synthase Chain: A
Molecule details ›
Chain: A
Length: 395 amino acids
Theoretical weight: 43.17 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WPP7 (Residues: 2-396; Coverage: 100%)
Gene names: MTCY339.34c, Rv2276, cyp121
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

4 bound ligands:
Ligand HEM 1 x HEM
Ligand SO4 2 x SO4
Ligand 1G4 1 x 1G4
Ligand GOL 6 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P6522
Unit cell:
a: 77.3Å b: 77.3Å c: 261.89Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.159 0.158 0.171
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Unrivalled diversity: the many roles and reactions of bacterial cytochromes P450 in secondary metabolism.
Greule et al. (2018)
5 more

2 mentions without citation

Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121: insights from biochemical studies and crystal structures.
Fonvielle et al. (2013)
1 more