The wPDI Redox Cycle Coupled Conformational Change of the Repetitive Domain of the HMW-GS 1Dx5-A Computational Study.
The wPDI Redox Cycle Coupled Conformational Change of the Repetitive Domain of the HMW-GS 1Dx5-A Computational Study.
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HMW-GS 1Dx5-A 计算研究的重复域的 wPDI 氧化还原循环耦合构象变化。
DOI：
10.3390/molecules25194393
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发表时间：
2020-09-24
期刊：
影响因子：
--
通讯作者：
Yang D
中科院分区：
文献类型：
--
作者：
Gao J;Yu P;Liang H;Fu J;Luo Z;Yang D
麦谷蛋白的重复序列在面团流变学中起着重要的作用，然而，它与小麦蛋白质二硫键异构酶（wPDI）的相互作用还不清楚。本研究模拟了高分子量谷蛋白亚基（HMW-GS）1Dx 5的野生型谷蛋白重复序列（WRS）、人工设计的氨基酸组成相同但一级结构不同的谷蛋白重复序列（DRS）以及不同氧化还原状态下的wPDI的构象。进一步研究了上述重复序列与wPDI在不同氧化还原状态下的分子相互作用。结果表明，重复序列结合到“开放”的氧化wPDI（wPDIO）的B和B′结构域，其作为底物的受体状态。重复序列在wPDIO中部分折叠（压缩），并且在wPDIO的构象有利的后续构象转变中进一步折叠为还原的wPDI（wPDIO）。与人工设计的重复序列相比，自然设计的重复序列被wPDI更好地识别和更密集地折叠，以便其随后展开作为面团延伸的分子基础。
The repetitive sequence of glutenin plays an important role in dough rheology; however, its interaction with wheat protein disulfide isomerase (wPDI) remains unclear. In this study, the conformations of wild type glutenin repetitive sequence (WRS) from the high molecular weight glutenin subunit (HMW-GS) 1Dx5, an artificially designed glutenin repetitive sequence (DRS) of which the amino acid composition is the same but the primary structure is different, and wPDI under different redox states were simulated. The molecular interactions between the aforementioned repetitive sequences with wPDI under different redox states were further investigated. The results indicated that the repetitive sequences bind to the b and b′ domains of an “open”, oxidized wPDI (wPDIO) which serves as the acceptor state of substrate. The repetitive sequence is partially folded (compressed) in wPDIO, and is further folded in the thermodynamically favored, subsequent conformational transition of wPDIO to reduced wPDI (wPDIR). Compared with the artificially designed one, the naturally designed repetitive sequence is better recognized and more intensively folded by wPDI for its later unfold as the molecular basis of dough extension.
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DOI：
10.1073/pnas.88.1.68
发表时间：
1991-01-01
影响因子：
11.1
作者：
MILES, MJ;CARR, HJ;TATHAM, AS
通讯作者：
TATHAM, AS
DOI：
10.1016/s0167-4838(00)00059-5
发表时间：
2000-06-15
期刊：
BIOCHIMICA ET BIOPHYSICA ACTA-PROTEIN STRUCTURE AND MOLECULAR ENZYMOLOGY
影响因子：
--
作者：
Gilbert, SM;Wellner, N;Tatham, AS
通讯作者：
Tatham, AS
影响因子：
4.8
作者：
Pirneskoski, A;Klappa, P;Ruddock, LW
通讯作者：
Ruddock, LW
DOI：
10.2174/1871524919666191104154009
发表时间：
2020-04-01
影响因子：
--
作者：
Olofinnade, Anthony T.;Adeyeba, Adegboyega;Onaolapo, Olakunle J.
通讯作者：
Onaolapo, Olakunle J.
影响因子：
11.4
作者：
Klappa, P;Ruddock, LW;Freedman, RB
通讯作者：
Freedman, RB