› 3b98

X-ray diffraction
2.08Å resolution

Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1)

Released:
DOI: 10.2210/pdb3b98/pdb
PDB 3b98 coloured by chain and viewed from the front.
PDB 3b98 coloured by chain and viewed from the side.
PDB 3b98 coloured by chain and viewed from the top.
Source organism: Danio rerio
Primary publication:
Structures of prostacyclin synthase and its complexes with substrate analog and inhibitor reveal a ligand-specific heme conformation change.
Li YC, Chiang CW, Yeh HC, Hsu PY, Whitby FG, Wang LH, Chan NL
J. Biol. Chem. 283 2917-26 (2008)
PMID: 18032380

Function and Biology Details

Reactions catalysed: 
A hydroperoxy icosatetraenoate = an oxoicosatetraenoate + H(2)O
(5Z,13E)-(15S)-9-alpha,11-alpha-epidioxy-15-hydroxyprosta-5,13-dienoate = (5Z,13E)-(15S)-6,9-alpha-epoxy-11-alpha,15-dihydroxyprosta-5,13-dienoate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Prostacyclin synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 475 amino acids
Theoretical weight: 54.85 KDa
Source organism: Danio rerio
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: F1RE08 (Residues: 17-480; Coverage: 97%)
Gene names: ptgis, ptgisl
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL13B1
Spacegroup: P212121
Unit cell:
a: 58.667Å b: 87.896Å c: 190.854Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.229 0.227 0.264
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

8 review citations

The enzymology of the human prostanoid pathway.
Biringer RG. (2020)
7 more

5 mentions without citation

Human cytochrome P450 enzymes 5-51 as targets of drugs and natural and environmental compounds: mechanisms, induction, and inhibition - toxic effects and benefits.
Rendic et al. (2018)
4 more