› 6m7x

X-ray diffraction
2.1Å resolution

Structure of human CYP11B1 in complex with fadrozole

Released:
DOI: 10.2210/pdb6m7x/pdb
PDB entry 6m7x coloured by chain, front view.
PDB entry 6m7x coloured by chain, side view.
PDB entry 6m7x coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure of human cortisol-producing cytochrome P450 11B1 bound to the breast cancer drug fadrozole provides insights for drug design.
Brixius-Anderko S, Scott EE
J Biol Chem 294 453-460 (2019)
PMID: 30425102

Function and Biology Details

Reaction catalysed: 
A steroid + 2 reduced adrenodoxin + O(2) + 2 H(+) = an 11-beta-hydroxysteroid + 2 oxidized adrenodoxin + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147402 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 11B1, mitochondrial Chains: A, B
Molecule details ›
Chains: A, B
Length: 484 amino acids
Theoretical weight: 55.68 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli DH5[alpha]
UniProt:
  • Canonical: P15538 (Residues: 31-503; Coverage: 94%)
Gene names: CYP11B1, S11BH
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
1 bound ligand:
Ligand JD7 2 x JD7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: I4
Unit cell:
a: 140.57Å b: 140.57Å c: 145.777Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.189 0.218
Expression system: Escherichia coli DH5[alpha]

Quick links

Citations

2 review citations

Drug design strategies for Cushing's syndrome.
Usanov et al. (2019)
1 more

8 mentions without citation

Structure of human cortisol-producing cytochrome P450 11B1 bound to the breast cancer drug fadrozole provides insights for drug design.
Brixius-Anderko et al. (2019)
7 more