› 8abr

X-ray diffraction
2.1Å resolution

Crystal structure of CYP109A2 from Bacillus megaterium bound with putative ligands hexanoic acid and octanoic acid

Released:
DOI: 10.2210/pdb8abr/pdb
PDB entry 8abr coloured by chain, front view.
PDB entry 8abr coloured by chain, side view.
PDB entry 8abr coloured by chain, top view.
Source organism: Priestia megaterium DSM 319
Primary publication:
Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling.
Jóźwik IK, Bombino E, Abdulmughni A, Hartz P, Rozeboom HJ, Wijma HJ, Kappl R, Janssen DB, Bernhardt R, Thunnissen AWH
FEBS J (2023)
PMID: 37453052

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-112685 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 Chain: A
Molecule details ›
Chain: A
Length: 409 amino acids
Theoretical weight: 46.99 KDa
Source organism: Priestia megaterium DSM 319
Expression system: Escherichia coli
UniProt:
  • Canonical: D5DF88 (Residues: 1-403; Coverage: 100%)
Gene name: BMD_2035
Sequence domains: Cytochrome P450

Ligands and Environments

4 bound ligands:
Ligand HEB 1 x HEB
Ligand 6NA 1 x 6NA
Ligand OCA 1 x OCA
Ligand SO4 6 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P43212
Unit cell:
a: 78.665Å b: 78.665Å c: 188.019Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.196 0.226
Expression system: Escherichia coli

Quick links