› 3kxo

X-ray diffraction
2.1Å resolution

An orally active inhibitor bound at the active site of HPGDS

Released:
DOI: 10.2210/pdb3kxo/pdb
PDB entry 3kxo coloured by chain, front view.
PDB entry 3kxo coloured by chain, side view.
PDB entry 3kxo coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Kiefer JR, Day JE, Thorarensen A

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
Molecule details ›
Chains: A, B
Length: 202 amino acids
Theoretical weight: 23.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60760 (Residues: 1-199; Coverage: 100%)
Gene names: GSTS, HPGDS, PGDS, PTGDS2
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand GSH 2 x GSH
2 bound ligands:
Ligand KXO 2 x KXO
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P21
Unit cell:
a: 48.799Å b: 78.364Å c: 52.455Å
α: 90° β: 91.61° γ: 90°
R-values:
R R work R free
0.166 0.164 0.222
Expression system: Escherichia coli

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