› 6k24

X-ray diffraction
2.1Å resolution

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

Released:
DOI: 10.2210/pdb6k24/pdb
PDB entry 6k24 coloured by chain, front view.
PDB entry 6k24 coloured by chain, side view.
PDB entry 6k24 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: 481 amino acids
Theoretical weight: 54.98 KDa
Source organism: Priestia megaterium
Expression system: Escherichia coli
UniProt:
  • Canonical: P14779 (Residues: 2-457; Coverage: 44%)
Gene names: BG04_163, cyp102, cyp102A1
Sequence domains: Cytochrome P450

Ligands and Environments

3 bound ligands:
Ligand WAA 2 x WAA
Ligand CV0 2 x CV0
Ligand DMS 2 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL26B1
Spacegroup: P21
Unit cell:
a: 59.082Å b: 149.182Å c: 65.213Å
α: 90° β: 99.76° γ: 90°
R-values:
R R work R free
0.211 0.208 0.256
Expression system: Escherichia coli

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