Brand  (β version)

PDB ID: 4J03

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Ligands
Code Name Style Show Link
FVS (7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol PoSSuM
MG Magnesium ion PoSSuM
PO4 Phosphate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 4J03   PDBj   RCSB PDB   PDBe
Header : Hydrolase/Hydrolase inhibitor
Title : Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant
Release Data : 2013-06-05
Compound :
mol_id molecule chains synonym
1 Bifunctional epoxide hydrolase 2 A Cytosolic epoxide hydrolase 2, CEH, Epoxide hydratase, Soluble epoxide hydrolase, SEH, Lipid-phosphate phosphatase
ec: 3.3.2.10, 3.1.3.76
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: EPHX2
expression_system_vector_type: plasmid
expression_system_plasmid: ACHSEH1
Authors : Morisseau, C., Pakhomova, S., Hwang, S.H., Newcomer, M.E., Hammock, B.D.
Keywords : DOMAIN-SWAPPED DIMER, Hydrolase-Hydrolase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.92 Å )
Citation :

Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides.

Morisseau, C.,Pakhomova, S.,Hwang, S.H.  et al.
(2013)  Bioorg.Med.Chem.Lett.  23 : 3818 - 3821

PubMed: 23684894
DOI: 10.1016/j.bmcl.2013.04.083

Reaction

Chain : A
UniProt : P34913 (HYES_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
an epoxide + H2O = an ethanediol 3.3.2.10 PubMed:12574510, PubMed:12869654, PubMed:22798687
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(9S,10S)-10-hydroxy-9-(phosphooxy)octadecanoate + H2O = (9S,10S)-9,10-dihydroxyoctadecanoate + phosphate 3.1.3.76 PubMed:12574508, PubMed:12574510, PubMed:15196990
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12-phosphooxy-(9Z)-octadecenoate + H2O = 12-hydroxy-(9Z)- octadecenoate + phosphate - PubMed:12574510
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12-phosphooxy-(9E)-octadecenoate + H2O = 12-hydroxy-(9E)- octadecenoate + phosphate - PubMed:12574510
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12-(phosphooxy)octadecanoate + H2O = 12-hydroxyoctadecanoate + phosphate - PubMed:12574510
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8,9-epoxy-(5Z,11Z,14Z)-eicosatrienoate + H2O = 8,9-dihydroxy- (5Z,11Z,14Z)-eicosatrienoate - PubMed:22798687
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11,12-epoxy-(5Z,8Z,14Z)-eicosatrienoate + H2O = 11,12- dihydroxy-(5Z,8Z,14Z)-eicosatrienoate - PubMed:22798687
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14,15-epoxy-(5Z,8Z,11Z)-eicosatrienoate + H2O = 14,15- dihydroxy-(5Z,8Z,11Z)-eicosatrienoate - PubMed:22798687
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9,10-epoxy-(12Z)-octadecenoate + H2O = 9,10-dihydroxy-(12Z)- octadecenoate - PubMed:22798687
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8-hydroxy-(11S,12S)-epoxy-(5Z,9E,14Z)-eicosatrienoate + H2O = (8,11R,12S)-trihydroxy-(5Z,9E,14Z)-eicosatrienoate - PubMed:21217101
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10-hydroxy-(11S,12S)-epoxy- (5Z,8Z,14Z)-eicosatrienoate + H2O = (10,11S,12R)-trihydroxy-(5Z,8Z,14Z)-eicosatrienoate - PubMed:21217101
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1-tetradecanoyl-sn-glycerol 3-phosphate + H2O = 1- tetradecanoyl-sn-glycerol + phosphate - PubMed:22387545
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1-octadecanoyl-sn-glycero-3-phosphate + H2O = 1-octadecanoyl- sn-glycerol + phosphate - PubMed:22217705, PubMed:22387545
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1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate + H2O = 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol + phosphate - PubMed:22217705, PubMed:22387545
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1-hexadecanoyl-sn-glycero-3-phosphate + H2O = 1-hexadecanoyl- sn-glycerol + phosphate - PubMed:22217705, PubMed:22387545
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1-(9Z-octadecenoyl)-sn-glycero-3-phosphate + H2O = 1-(9Z- octadecenoyl)-sn-glycerol + phosphate - PubMed:22217705, PubMed:22387545
left-to-right PubMed:22217705, PubMed:22387545
(8S,9R)-epoxy-(5Z,11Z,14Z)-eicosatrienoate + H2O = (8S,9S)- dihydroxy-(5Z,11Z,14Z)-eicosatrienoate - UniProtKB:P34914
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(11S,12R)-epoxy-(5Z,8Z,14Z)-eicosatrienoate + H2O = (11R,12R)- dihydroxy-(5Z,8Z,14Z)-eicosatrienoate - UniProtKB:P34914
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(11S,12R)-epoxy-(5Z,8Z,14Z)-eicosatrienoate + H2O = (11S,12S)- dihydroxy-(5Z,8Z,14Z)-eicosatrienoate - UniProtKB:P34914
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(14S,15R)-epoxy-(5Z,8Z,11Z)-eicosatrienoate + H2O = (14R,15R)- dihydroxy-(5Z,8Z,11Z)-eicosatrienoate - UniProtKB:P34914
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(14S,15R)-epoxy-(5Z,8Z,11Z)-eicosatrienoate + H2O = (14S,15S)- dihydroxy-(5Z,8Z,11Z)-eicosatrienoate - UniProtKB:P34914
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(11R,12S)-epoxy-(5Z,8Z,14Z)-eicosatrienoate + H2O = (11S,12S)- dihydroxy-(5Z,8Z,14Z)-eicosatrienoate - UniProtKB:P34914
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(11R,12S)-epoxy-(5Z,8Z,14Z)-eicosatrienoate + H2O = (11R,12R)- dihydroxy-(5Z,8Z,14Z)-eicosatrienoate - UniProtKB:P34914
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(8S,9R)-epoxy-(5Z,11Z,14Z)-eicosatrienoate + H2O = (8R,9R)- dihydroxy-(5Z,11Z,14Z)-eicosatrienoate - UniProtKB:P34914
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(14R,15S)-epoxy-(5Z,8Z,11Z)-eicosatrienoate + H2O = (14R,15R)- dihydroxy-(5Z,8Z,11Z)-eicosatrienoate - UniProtKB:P34914
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