› 4y8w

X-ray diffraction
2.64Å resolution

Crystal Structure of Human Cytochrome P450 21A2 Progesterone Complex

Released:
DOI: 10.2210/pdb4y8w/pdb
PDB entry 4y8w coloured by chain, front view.
PDB entry 4y8w coloured by chain, side view.
PDB entry 4y8w coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Human Cytochrome P450 21A2, the Major Steroid 21-Hydroxylase: STRUCTURE OF THE ENZYME·PROGESTERONE SUBSTRATE COMPLEX AND RATE-LIMITING C-H BOND CLEAVAGE.
Pallan PS, Wang C, Lei L, Yoshimoto FK, Auchus RJ, Waterman MR, Guengerich FP, Egli M
J Biol Chem 290 13128-43 (2015)
PMID: 25855791

Function and Biology Details

Reaction catalysed: 
17-alpha-hydroxyprogesterone + [reduced NADPH--hemoprotein reductase] + O(2) = 11-deoxycortisol + [oxidized NADPH--hemoprotein reductase] + 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-172607 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Steroid 21-hydroxylase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 482 amino acids
Theoretical weight: 54.54 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P08686 (Residues: 30-495; Coverage: 94%)
Gene names: CYP21, CYP21A2, CYP21B
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 3 x HEM
2 bound ligands:
Ligand SO4 4 x SO4
Ligand STR 3 x STR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: C2
Unit cell:
a: 150.383Å b: 86.86Å c: 108.923Å
α: 90° β: 102.11° γ: 90°
R-values:
R R work R free
0.235 0.231 0.281
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Congenital Adrenal Hyperplasia (CAH) due to 21-Hydroxylase Deficiency: A Comprehensive Focus on 233 Pathogenic Variants of CYP21A2 Gene.
Concolino et al. (2018)
3 more

16 mentions without citation

Recent Structural Insights into Cytochrome P450 Function.
Guengerich et al. (2016)
15 more