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Literature summary for 1.1.1.239 extracted from

  • Jackson, V.J.; Yosaatmadja, Y.; Flanagan, J.U.; Squire, C.J.
    Structure of AKR1C3 with 3-phenoxybenzoic acid bound (2012), Acta Crystallogr. Sect. F, 68, 409-413.
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

Cloned (Comment) Organism
expression in Escherichia coli Homo sapiens

Crystallization (Commentary)

Crystallization (Comment) Organism
in complex with 3-phenoxybenzoic acid, to 1.68 A resolution, space group P212121 Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
3-phenoxybenzoic acid inhibitor carboxylic acid binds to the oxyanion site, in which the carboxylate group very closely overlays the acetate molecule found in other AKR1C3 structures and forms hydrogen bonds to the enzyme catalytic residues His117 and Tyr55, as well as to a conserved water network located in and near the SP3 subpocket. The 3-phenoxy ring extends into the SP1 subpocket and makes van der Waals contacts with the aromatic residues Phe306, Phe311 and Tyr319 that line the pocket Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P42330
-
-

Synonyms

Synonyms Comment Organism
AKR1C3
-
Homo sapiens