› 6prs

X-ray diffraction
2.37Å resolution

The crystal structure of 3-ethoxybenzoate-bound CYP199A4

Released:
DOI: 10.2210/pdb6prs/pdb
PDB entry 6prs coloured by chain, front view.
PDB entry 6prs coloured by chain, side view.
PDB entry 6prs coloured by chain, top view.
Source organism: Rhodopseudomonas palustris HaA2
Primary publication:
Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
Podgorski MN, Coleman T, Chao RR, De Voss JJ, Bruning JB, Bell SG
J Inorg Biochem 203 110913 (2020)
PMID: 31759265

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173658 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 Chain: A
Molecule details ›
Chain: A
Length: 410 amino acids
Theoretical weight: 44.59 KDa
Source organism: Rhodopseudomonas palustris HaA2
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q2IU02 (Residues: 1-410; Coverage: 100%)
Gene name: RPB_3613
Sequence domains: Cytochrome P450

Ligands and Environments

3 bound ligands:
Ligand HEM 1 x HEM
Ligand OW7 1 x OW7
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 44.592Å b: 51.416Å c: 79.365Å
α: 90° β: 92.19° γ: 90°
R-values:
R R work R free
0.186 0.182 0.222
Expression system: Escherichia coli BL21(DE3)

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Citations

8 citation in other articles

Lignin Biodegradation by a Cytochrome P450 Enzyme: A Computational Study into Syringol Activation by GcoA.
Ali et al. (2020)
7 more

1 mention without citation

Inner workings of RAG recombinase and its specialization for adaptive immunity.
Chen et al. (2021)