› 1jin

X-ray diffraction
2.3Å resolution

P450eryF/ketoconazole

Released:
DOI: 10.2210/pdb1jin/pdb
PDB entry 1jin coloured by chain, front view.
PDB entry 1jin coloured by chain, side view.
PDB entry 1jin coloured by chain, top view.
Source organism: Saccharopolyspora erythraea
Primary publication:
Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF.
Cupp-Vickery JR, Garcia C, Hofacre A, McGee-Estrada K
J Mol Biol 311 101-10 (2001)
PMID: 11469860

Function and Biology Details

Reaction catalysed: 
6-deoxyerythronolide B + 2 reduced ferredoxin [iron-sulfur] cluster + 2 H(+) + O(2) = erythronolide B + 2 oxidized ferredoxin [iron-sulfur] cluster + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169415 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
6-deoxyerythronolide B hydroxylase Chain: A
Molecule details ›
Chain: A
Length: 403 amino acids
Theoretical weight: 44.52 KDa
Source organism: Saccharopolyspora erythraea
Expression system: Escherichia coli
UniProt:
  • Canonical: Q00441 (Residues: 2-404; Coverage: 100%)
Gene names: CYP107A1, SACE_0730, eryF
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
Ligand HEM 1 x HEM
Ligand KTN 1 x KTN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 54.228Å b: 79.738Å c: 99.364Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.184 0.235
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Diversity of P450 enzymes in the biosynthesis of natural products.
Podust et al. (2012)
4 more

7 mentions without citation

Conformational plasticity and structure/function relationships in cytochromes P450.
Pochapsky et al. (2010)
6 more