› 7e7f

X-ray diffraction
1.4Å resolution

Human CYP11B1 mutant in complex with metyrapone

Released:
DOI: 10.2210/pdb7e7f/pdb
PDB entry 7e7f coloured by chain, front view.
PDB entry 7e7f coloured by chain, side view.
PDB entry 7e7f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Spatially restricted substrate-binding site of cortisol-synthesizing CYP11B1 limits multiple hydroxylations and hinders aldosterone synthesis.
Mukai K, Sugimoto H, Kamiya K, Suzuki R, Matsuura T, Hishiki T, Shimada H, Shiro Y, Suematsu M, Kagawa N
OpenAccess logo Curr Res Struct Biol 3 192-205 (2021)
PMID: 34485929

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 Chain: A
Molecule details ›
Chain: A
Length: 486 amino acids
Theoretical weight: 55.82 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P15538 (Residues: 28-503; Coverage: 95%)
Gene names: CYP11B1, S11BH
Sequence domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
3 bound ligands:
Ligand MYT 1 x MYT
Ligand CHD 2 x CHD
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL41XU
Spacegroup: P212121
Unit cell:
a: 75.18Å b: 84.6Å c: 85.61Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.141 0.14 0.163
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Pathogenicity of Congenital Adrenal Hyperplasia Induced by the p.P377L Mutation of CYP11B1.
Ma et al. (2023)

1 mention without citation

Spatially restricted substrate-binding site of cortisol-synthesizing CYP11B1 limits multiple hydroxylations and hinders aldosterone synthesis.
Mukai et al. (2021)