1iup
From Proteopedia
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meta-Cleavage product hydrolase from Pseudomonas fluorescens IP01 (CumD) S103A mutant complexed with isobutyrates
Overview
2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase (CumD) from, Pseudomonas fluorescens IP01 hydrolyzes a meta-cleavage product generated, in the cumene (isopropylbenzene) degradation pathway. The crystal, structures of the inactive S103A mutant of the CumD enzyme complexed with, isobutyrate and acetate ions were determined at 1.6 and 2.0 A resolution, respectively. The isobutyrate and acetate ions were located at the same, position in the active site, and occupied the site for a part of the, hydrolysis product with CumD, which has the key determinant group for the, substrate specificity of related hydrolases. One of the oxygen atoms of, the carboxyl group of the isobutyrate ion was hydrogen bonded with a water, molecule and His252. Another oxygen atom of the carboxyl group was, situated in an oxyanion hole formed by the two main-chain N atoms. The, isopropyl group of the isobutyric acid was recognized by the side-chains, of the hydrophobic residues. The substrate-binding pocket of CumD was, long, and the inhibition constants of various organic acids corresponded, well to it. In comparison with the structure of BphD from Rhodococcus sp., RHA1, the structural basis for the substrate specificity of related, hydrolases, is revealed.
About this Structure
1IUP is a Single protein structure of sequence from Pseudomonas fluorescens with ALQ as ligand. Active as 2-hydroxymuconate-semialdehyde hydrolase, with EC number 3.7.1.9 Full crystallographic information is available from OCA.
Reference
Crystal structures of a meta-cleavage product hydrolase from Pseudomonas fluorescens IP01 (CumD) complexed with cleavage products., Fushinobu S, Saku T, Hidaka M, Jun SY, Nojiri H, Yamane H, Shoun H, Omori T, Wakagi T, Protein Sci. 2002 Sep;11(9):2184-95. PMID:12192074
Page seeded by OCA on Sat Nov 24 22:36:00 2007
Categories: 2-hydroxymuconate-semialdehyde hydrolase | Pseudomonas fluorescens | Single protein | Fushinobu, S. | Hidaka, M. | Jun, S.Y. | Nojiri, H. | Omori, T. | Saku, T. | Shoun, H. | Wakagi, T. | Yamane, H. | ALQ | Alpha/beta-hydrolase | Aromatic compounds | Beta-ketolase | Cumene | Cumene degradation | Isopropylbenzene | Meta-cleavage compound hydrolase | Pcb | Polychlorinated biphenyl degradation | Pseudomonas fluorescens ip01 | Substrate specificity
