› 2jjp

X-ray diffraction
2.1Å resolution

Structure of cytochrome P450 EryK in complex with inhibitor ketoconazole (KC)

Released:
DOI: 10.2210/pdb2jjp/pdb
PDB entry 2jjp coloured by chain, front view.
PDB entry 2jjp coloured by chain, side view.
PDB entry 2jjp coloured by chain, top view.
Source organism: Saccharopolyspora erythraea
Primary publication:
Azole drugs trap cytochrome P450 EryK in alternative conformational states.
Montemiglio LC, Gianni S, Vallone B, Savino C
Biochemistry 49 9199-206 (2010)
PMID: 20845962

Function and Biology Details

Reaction catalysed: 
Erythromycin D + NADPH + O(2) = erythromycin C + NADP(+) + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155783 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Erythromycin C-12 hydroxylase Chain: A
Molecule details ›
Chain: A
Length: 411 amino acids
Theoretical weight: 45.35 KDa
Source organism: Saccharopolyspora erythraea
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P48635 (Residues: 1-397; Coverage: 100%)
Gene names: CYP113A1, SACE_0713, eryK
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
2 bound ligands:
Ligand KLN 1 x KLN
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P21
Unit cell:
a: 53.243Å b: 68.038Å c: 57.687Å
α: 90° β: 100.71° γ: 90°
R-values:
R R work R free
0.199 0.195 0.262
Expression system: Escherichia coli BL21

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Citations

1 review citation

Challenges in assignment of allosteric effects in cytochrome P450-catalyzed substrate oxidations to structural dynamics in the hemoprotein architecture.
Hlavica P. (2017)
10 other articles