› 3ee2

X-ray diffraction
1.91Å resolution

Structure of human prostaglandin D-synthase (hGSTS1-1) in complex with nocodazole

Released:
DOI: 10.2210/pdb3ee2/pdb
PDB entry 3ee2 coloured by chain, front view.
PDB entry 3ee2 coloured by chain, side view.
PDB entry 3ee2 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification and characterisation of new inhibitors for the human hematopoietic prostaglandin D2 synthase.
Weber JE, Oakley AJ, Christ AN, Clark AG, Hayes JD, Hall R, Hume DA, Board PG, Smythe ML, Flanagan JU
Eur J Med Chem 45 447-54 (2010)
PMID: 19939518

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 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: 199 amino acids
Theoretical weight: 23.38 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O60760 (Residues: 1-199; Coverage: 100%)
Gene names: GSTS, HPGDS, PGDS, PTGDS2
Sequence domains:
Structure domains:

Ligands and Environments


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

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P212121
Unit cell:
a: 47.22Å b: 79.359Å c: 107.547Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.183 0.232
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

Glutathione transferases: a structural perspective.
Oakley A. (2011)
2 more

5 mentions without citation

Atractiellomycetes belonging to the 'rust' lineage (Pucciniomycotina) form mycorrhizae with terrestrial and epiphytic neotropical orchids.
Kottke et al. (2010)
4 more