5UIF

Crystal Structure of Native Ps01740

Summary for 5UIF

• Entry DOI: 10.2210/pdb5uif/pdb
• Descriptor: Ps01740 (2 entities in total)
• Functional Keywords: 4-oxalocrotonate-tautomerase, mif, cis-caad, dehalogenase, hydrolase
• Biological source: Pseudomonas sp. UW4
• Total number of polymer chains: 3
• Total formula weight: 40647.89

Authors

LeVieux, J.,Baas, B.J.,Zhang, Y.J.,Whitman, C.P. (deposition date: 2017-01-13, release date: 2017-11-22, Last modification date: 2023-10-04)

Primary citation

LeVieux, J.A.,Baas, B.J.,Kaoud, T.S.,Davidson, R.,Babbitt, P.C.,Zhang, Y.J.,Whitman, C.P.
Kinetic and structural characterization of a cis-3-Chloroacrylic acid dehalogenase homologue in Pseudomonas sp. UW4: A potential step between subgroups in the tautomerase superfamily.
Arch. Biochem. Biophys., 636:50-56, 2017

PubMed Abstract: A Pseudomonas sp. UW4 protein (UniProt K9NIA5) of unknown function was identified as similar to 4-oxalocrotonate tautomerase (4-OT)-like and cis-3-chloroacrylic acid dehalogenase (cis-CaaD)-like subgroups of the tautomerase superfamily (TSF). This protein lacks only Tyr-103 of the amino acids critical for cis-CaaD activity (Pro-1, His-28, Arg-70, Arg-73, Tyr-103, Glu-114). As it may represent an important variant of these enzymes, its kinetic and structural properties have been determined. The protein shows tautomerase activity with phenylenolpyruvate, but lacks native 4-OT activity and dehalogenase activity with the isomers of 3-chloroacrylic acid. It shows mostly low-level hydratase activity at pH 7.0, converting 2-oxo-3-pentynoate to acetopyruvate, consistent with cis-CaaD-like behavior. At pH 9.0, this compound results primarily in covalent modification of Pro-1, which is consistent with 4-OT-like behavior. These observations could reflect a pK for Pro-1 that is closer to that of cis-CaaD (∼9.2) than to 4-OT (∼6.4). A structure of the native enzyme, at 2.6 Å resolution, highlights differences at the active site from those of 4-OT and cis-CaaD that add to our understanding of how contemporary TSF reactions and mechanisms may have diverged from a common 4-OT-like ancestor.

PubMed: 29111295
DOI: 10.1016/j.abb.2017.10.018

Experimental method

X-RAY DIFFRACTION (2.57 Å)