› 5ais

X-ray diffraction
1.85Å resolution

Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.

Released:
DOI: 10.2210/pdb5ais/pdb
PDB entry 5ais coloured by chain, front view.
PDB entry 5ais coloured by chain, side view.
PDB entry 5ais coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of indole inhibitors of human hematopoietic prostaglandin D2 synthase (hH-PGDS).
Edfeldt F, Evenäs J, Lepistö M, Ward A, Petersen J, Wissler L, Rohman M, Sivars U, Svensson K, Perry M, Feierberg I, Zhou XH, Hansson T, Narjes F
Bioorg Med Chem Lett 25 2496-500 (2015)
PMID: 25978964

Function and Biology Details

Reactions catalysed: 
RX + glutathione = HX + R-S-glutathione
(5Z,13E,15S)-9-alpha,11-alpha-epidioxy-15-hydroxyprosta-5,13-dienoate = (5Z,13E,15S)-9-alpha,15-dihydroxy-11-oxoprosta-5,13-dienoate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130086 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Hematopoietic prostaglandin D synthase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 199 amino acids
Theoretical weight: 23.38 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60760 (Residues: 2-199; Coverage: 100%)
Gene names: GSTS, HPGDS, PGDS, PTGDS2
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand GSH 4 x GSH
2 bound ligands:
Ligand CWC 4 x CWC
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: I41
Unit cell:
a: 124.802Å b: 124.802Å c: 106.884Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.233 0.231 0.255
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Prostaglandins and Their Receptors in Eosinophil Function and As Therapeutic Targets.
Peinhaupt et al. (2017)
1 more