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PDBsum entry 3kxo

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protein ligands metals Protein-protein interface(s) links
Isomerase PDB id
3kxo
Jmol
Contents
Protein chain
198 a.a. *
Ligands
GSH ×2
KXO ×2
Metals
_MG
Waters ×393
* Residue conservation analysis
PDB id:
3kxo
Name: Isomerase
Title: An orally active inhibitor bound at the active site of hpgds
Structure: Glutathione-requiring prostaglandin d synthase. Chain: a, b. Synonym: glutathione-dependent pgd synthetase, prostaglandi isomerase, hematopoietic prostaglandin d synthase, h-pgds. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: ptgds2, pgds. Expressed in: escherichia coli. Expression_system_taxid: 562
Resolution:
2.10Å     R-factor:   0.166     R-free:   0.222
Authors: J.R.Kiefer,J.E.Day,A.Thorarensen
Key ref: C.P.Carron et al. Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin d synthase. To be published, .
Date:
03-Dec-09     Release date:   01-Sep-10    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
O60760  (HPGDS_HUMAN) -  Hematopoietic prostaglandin D synthase
Seq:
Struc:
199 a.a.
198 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class 2: E.C.2.5.1.18  - Glutathione transferase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: RX + glutathione = HX + R-S-glutathione
RX
+
glutathione
Bound ligand (Het Group name = GSH)
corresponds exactly
= HX
+ R-S-glutathione
   Enzyme class 3: E.C.5.3.99.2  - Prostaglandin-D synthase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: (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
(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
      Cofactor: Glutathione
Glutathione
Bound ligand (Het Group name = GSH) corresponds exactly
Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     cytoplasm   2 terms 
  Biological process     small molecule metabolic process   12 terms 
  Biochemical function     transferase activity     8 terms