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PDBsum entry 3pdc

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Hydrolase/hydrolase inhibitor PDB id
3pdc
Jmol
Contents
Protein chain
323 a.a.
Ligands
ZYI ×2
Waters ×191
PDB id:
3pdc
Name: Hydrolase/hydrolase inhibitor
Title: Crystal structure of hydrolase domain of human soluble epoxi hydrolase complexed with a benzoxazole inhibitor
Structure: Epoxide hydrolase 2. Chain: a, b. Fragment: hydrolase domain (unp residues 226 to 548). Synonym: cytosolic epoxide hydrolase, ceh, epoxide hydratas epoxide hydrolase, seh. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: ephx2. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.
Resolution:
2.60Å     R-factor:   0.279     R-free:   0.333
Authors: R.G.Kurumbail,J.M.Williams
Key ref: L.Xing et al. (2011). Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening. J Med Chem, 54, 1211-1222. PubMed id: 21302953
Date:
22-Oct-10     Release date:   06-Apr-11    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
P34913  (HYES_HUMAN) -  Bifunctional epoxide hydrolase 2
Seq:
Struc:
 
Seq:
Struc:
555 a.a.
323 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class 2: E.C.3.1.3.76  - Lipid-phosphate phosphatase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoate + H2O = (9S,10S)- 9,10-dihydroxyoctadecanoate + phosphate
(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoate
+ H(2)O
= (9S,10S)- 9,10-dihydroxyoctadecanoate
+ phosphate
      Cofactor: Mg(2+)
   Enzyme class 3: E.C.3.3.2.10  - Soluble epoxide hydrolase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: An epoxide + H2O = a glycol
epoxide
+ H(2)O
= glycol
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!
  Biochemical function     catalytic activity     1 term  

 

 
    reference    
 
 
J Med Chem 54:1211-1222 (2011)
PubMed id: 21302953  
 
 
Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening.
L.Xing, J.J.McDonald, S.A.Kolodziej, R.G.Kurumbail, J.M.Williams, C.J.Warren, J.M.O'Neal, J.E.Skepner, S.L.Roberds.
 
  ABSTRACT  
 
No abstract given.