› 5uys

X-ray diffraction
2.39Å resolution

Human steroidogenic cytochrome P450 17A1 with 3alphaOH-5alpha-abiraterone analog

Released:
DOI: 10.2210/pdb5uys/pdb
PDB entry 5uys coloured by chain, front view.
PDB entry 5uys coloured by chain, side view.
PDB entry 5uys coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
Petrunak EM, Bart AG, Peng HM, Auchus RJ, Scott EE
J Biol Chem 299 102999 (2023)
PMID: 36773804

Function and Biology Details

Reactions catalysed: 
A C(21)-steroid + [reduced NADPH--hemoprotein reductase] + O(2) = a 17-alpha-hydroxy-C(21)-steroid + [oxidized NADPH--hemoprotein reductase] + H(2)O
17-alpha-hydroxypregnenolone + [reduced NADPH--hemoprotein reductase] + O(2) = 3-beta-hydroxyandrost-5-en-17-one + acetate + [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-138421 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Steroid 17-alpha-hydroxylase/17,20 lyase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 494 amino acids
Theoretical weight: 55.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P05093 (Residues: 24-508; Coverage: 96%)
Gene names: CYP17, CYP17A1, S17AH
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 4 x HEM
1 bound ligand:
Ligand 8QD 4 x 8QD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL14-1
Spacegroup: P212121
Unit cell:
a: 89.759Å b: 153.18Å c: 168.885Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.19 0.245
Expression system: Escherichia coli

Quick links

Citations

2 citation in other articles

Abiraterone Acetate Complexes with Biometals: Synthesis, Characterization in Solid and Solution, and the Nature of Chemical Bonding.
Buikin et al. (2023)
1 more

3 mentions without citation

Non-steroidal CYP17A1 Inhibitors: Discovery and Assessment.
Wróbel et al. (2023)
2 more