4UB9

Structural and catalytic characterization of molinate hydrolase

4UB9 の概要

• エントリーDOI: 10.2210/pdb4ub9/pdb
• 分子名称: Molinate hydrolase, ZINC ION (3 entities in total)
• 機能のキーワード: amidohydrolase molinate thiocarbamate, hydrolase
• 由来する生物種: Gulosibacter molinativorax
• タンパク質・核酸の鎖数: 8
• 化学式量合計: 437955.77

構造登録者

Leite, J.P.,Duarte, M.,Paiva, A.,Ferreira-da-Silva, F.,Matias, P.M.,Nunes, O.,Gales, L. (登録日: 2014-08-12, 公開日: 2015-06-24, 最終更新日: 2024-05-01)

主引用文献

Leite, J.P.,Duarte, M.,Paiva, A.M.,Ferreira-da-Silva, F.,Matias, P.M.,Nunes, O.C.,Gales, L.
Structure-guided engineering of molinate hydrolase for the degradation of thiocarbamate pesticides.
Plos One, 10:e0123430-e0123430, 2015

PubMed Abstract: Molinate is a recalcitrant thiocarbamate used to control grass weeds in rice fields. The recently described molinate hydrolase, from Gulosibacter molinativorax ON4T, plays a key role in the only known molinate degradation pathway ending in the formation of innocuous compounds. Here we report the crystal structure of recombinant molinate hydrolase at 2.27 Å. The structure reveals a homotetramer with a single mononuclear metal-dependent active site per monomer. The active site architecture shows similarities with other amidohydrolases and enables us to propose a general acid-base catalysis mechanism for molinate hydrolysis. Molinate hydrolase is unable to degrade bulkier thiocarbamate pesticides such as thiobencarb which is used mostly in rice crops. Using a structural-based approach, we were able to generate a mutant (Arg187Ala) that efficiently degrades thiobencarb. The engineered enzyme is suitable for the development of a broader thiocarbamate bioremediation system.

PubMed: 25905461
DOI: 10.1371/journal.pone.0123430

実験手法

X-RAY DIFFRACTION (2.27 Å)