› 6jmh

X-ray diffraction
1.46Å resolution

Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan

Released:
DOI: 10.2210/pdb6jmh/pdb
PDB entry 6jmh coloured by chain, front view.
PDB entry 6jmh coloured by chain, side view.
PDB entry 6jmh coloured by chain, top view.
Source organism: Priestia megaterium
Primary publication:
Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Stanfield JK, Omura K, Matsumoto A, Kasai C, Sugimoto H, Shiro Y, Watanabe Y, Shoji O
Angew Chem Int Ed Engl 59 7611-7618 (2020)
PMID: 32157795

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

4 bound ligands:
Ligand MI9 2 x MI9
Ligand WAA 2 x WAA
Ligand GOL 22 x GOL
Ligand TRS 1 x TRS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL26B1
Spacegroup: P21
Unit cell:
a: 58.967Å b: 148.91Å c: 63.536Å
α: 90° β: 98.34° γ: 90°
R-values:
R R work R free
0.128 0.126 0.168
Expression system: Escherichia coli

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