› 7con

X-ray diffraction
1.46Å resolution

Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with n-Propylamine

Released:
DOI: 10.2210/pdb7con/pdb
Model geometry
Fit model/data
PDB entry 7con coloured by chain, front view.
PDB entry 7con coloured by chain, side view.
PDB entry 7con coloured by chain, top view.
Source organism: Priestia megaterium
Entry authors: Stanfield JK, Sugimoto H, Shoji O

Function and Biology Details

Reactions catalysed: 
RH + [reduced NADPH--hemoprotein reductase] + O(2) = ROH + [oxidized NADPH--hemoprotein reductase] + H(2)O
NADPH + n oxidized hemoprotein = NADP(+) + n reduced hemoprotein
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147079 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional cytochrome P450/NADPH--P450 reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 456 amino acids
Theoretical weight: 52.3 KDa
Source organism: Priestia megaterium
Expression system: Escherichia coli
UniProt:
  • Canonical: P14779 (Residues: 1-456; Coverage: 44%)
Gene names: BG04_163, cyp102, cyp102A1
Sequence domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
3 bound ligands:
Ligand 3CN 2 x 3CN
Ligand G56 2 x G56
Ligand GOL 19 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SPRING-8 BEAMLINE BL26B2
Spacegroup: P212121
Unit cell:
a: 58.655Å b: 128.189Å c: 148.518Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.156 0.154 0.188
Expression system: Escherichia coli

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