2j5i
From Proteopedia
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CRYSTAL STRUCTURE OF HYDROXYCINNAMOYL-COA HYDRATASE-LYASE
Overview
The crystal structure of hydroxycinnamoyl-CoA hydratase-lyase (HCHL) from, Pseudomonas fluorescens AN103 has been solved to 1.8 A resolution. HCHL is, a member of the crotonase superfamily and catalyses the hydration of the, acyl-CoA thioester of ferulic acid, [3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid] and the subsequent, retro-aldol cleavage of the hydrated intermediate to yield vanillin, (4-hydroxy-3-methoxy-benzaldehyde). The structure contains 12 molecules in, the asymmetric unit, in which HCHL assumes a hexameric structure of two, stacked trimers. The substrate, feruloyl-CoA, was modelled into the active, site based on the structure of enoyl-CoA hydratase bound to the, feruloyl-CoA-like substrate 4-(N,N-dimethylamino)-cinnamoyl-CoA (PDB code, 1ey3). Feruloyl-CoA was bound in this model between helix 3 of the A, subunit and helix 9 of the B subunit. A highly ordered structural water in, the HCHL structure coincided with the thioester carbonyl of feruloyl-CoA, in the model, suggesting that the oxyanion hole for stabilization of a, thioester-derived enolate, characteristic of coenzyme-A dependent members, of the crotonase superfamily, is conserved. The model also suggested that, a strong hydrogen bond between the phenolic hydroxyl groups of, feruloyl-CoA and BTyr239 may be an important determinant of the enzyme's, ability to discriminate between the natural substrate and cinnamoyl-CoA, which is not a substrate.
About this Structure
2J5I is a Protein complex structure of sequences from Pseudomonas fluorescens. Active as Trans-feruloyl-CoA hydratase, with EC number 4.2.1.101 Full crystallographic information is available from OCA.
Reference
The 1.8 A resolution structure of hydroxycinnamoyl-coenzyme A hydratase-lyase (HCHL) from Pseudomonas fluorescens, an enzyme that catalyses the transformation of feruloyl-coenzyme A to vanillin., Leonard PM, Brzozowski AM, Lebedev A, Marshall CM, Smith DJ, Verma CS, Walton NJ, Grogan G, Acta Crystallogr D Biol Crystallogr. 2006 Dec;62(Pt 12):1494-501. Epub, 2006 Nov 23. PMID:17139085
Page seeded by OCA on Tue Jan 29 20:50:54 2008
