6LKC

Crystal structure of PfaD from Shewanella piezotolerans in complex with FMN

6LKC の概要

• エントリーDOI: 10.2210/pdb6lkc/pdb
• 分子名称: Polyunsaturated fatty acid synthase PfaD, FLAVIN MONONUCLEOTIDE, CALCIUM ION, ... (5 entities in total)
• 機能のキーワード: fatty acid synthesis, pks, enoyl reductase, biosynthetic protein
• 由来する生物種: Shewanella piezotolerans (strain WP3 / JCM 13877)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 130107.45

構造登録者

Zhang, M.L.,Li, Q.,Meng, S.S.,Guo, L.J.,He, L.,Huang, J.Z.,Li, L.,Zhang, H.D. (登録日: 2019-12-19, 公開日: 2020-12-23, 最終更新日: 2023-11-22)

主引用文献

Zhang, M.,Zhang, H.,Li, Q.,Gao, Y.,Guo, L.,He, L.,Zang, S.,Guo, X.,Huang, J.,Li, L.
Structural Insights into the Trans -Acting Enoyl Reductase in the Biosynthesis of Long-Chain Polyunsaturated Fatty Acids in Shewanella piezotolerans .
J.Agric.Food Chem., 69:2316-2324, 2021

PubMed Abstract: Two long-chain polyunsaturated fatty acids (LC-PUFAs), eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA), play vital roles in human health. Similarly, two biosynthetic pathways, based on desaturase/elongase and polyketide synthase, have been implicated in the synthesis of microbial LC-PUFA. Up to now, only several microalgae, no bacteria, have been used in the commercial production of oils rich in DHA and/or EPA. Fully understanding the enzymatic mechanism in the biosynthesis of LC-PUFA would contribute significantly to produce EPA and/or DHA by the bacteria. In this study, we report a 1.998 Å-resolution crystal structure of -acting enoyl reductase (ER), SpPfaD, from . The SpPfaD model consists of one homodimer in the asymmetric unit, and each subunit contains three domains. These include an N-terminal, a central domain forming a classic TIM barrel with a single FMN cofactor molecule bound atop the barrel, and a C-terminal domain with a lid above the TIM barrel. Furthermore, we docked oxidized nicotinamide adenine dinucleotide phosphate (NADP) and an inhibitor 2-(4-(2-((3-(5-(pyridin-2-ylthio)thiazol-2-yl)ureido)methyl)-1-imidazole-4-yl)phenoxy)acetic acid (TUI) molecule into the active site and analyzed the inhibition and catalytic mechanisms of the enoyl reductase SpPfaD. To the best of our knowledge, this is the first crystal structure of -ER in the biosynthesis of bacterial polyketides.

PubMed: 33587627
DOI: 10.1021/acs.jafc.0c07386

実験手法

X-RAY DIFFRACTION (1.998 Å)