› 3nc5

X-ray diffraction
2.9Å resolution

CYP134A1 structure with an open substrate binding loop

Released:
DOI: 10.2210/pdb3nc5/pdb
PDB entry 3nc5 coloured by chain, front view.
PDB entry 3nc5 coloured by chain, side view.
PDB entry 3nc5 coloured by chain, top view.
Source organism: Bacillus subtilis
Primary publication:
Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase.
Cryle MJ, Bell SG, Schlichting I
Biochemistry 49 7282-96 (2010)
PMID: 20690619

Function and Biology Details

Reaction catalysed: 
Cyclo(L-leucyl-L-leucyl) + 6 reduced ferredoxin + 3 O(2) = pulcherriminic acid + 6 oxidized ferredoxin + 4 H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-128625 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pulcherriminic acid synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 441 amino acids
Theoretical weight: 49.39 KDa
Source organism: Bacillus subtilis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O34926 (Residues: 1-405; Coverage: 100%)
Gene names: BSU35060, cyp134, cypB, cypX
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
2 bound ligands:
Ligand GOL 2 x GOL
Ligand MG 3 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 63.8Å b: 105.4Å c: 143.9Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.235 0.231 0.306
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

11 review citations

The nonribosomal synthesis of diketopiperazines in tRNA-dependent cyclodipeptide synthase pathways.
Belin et al. (2012)
10 more