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首页> 外文期刊>Journal of Biomolecular Structure and Dynamics >Is atomic rearrangement of type IV PHA synthases responsible for increased PHA production?
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Is atomic rearrangement of type IV PHA synthases responsible for increased PHA production?

机译：IV型PHA合成酶的原子重排是否导致PHA产生增加？

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Background: Type IV PHA synthase is a key enzyme responsible for catalyzing the formation of non-toxic, biocompatible, and biodegradable short-chain-length polyhydroxyalkanoates (scl-PHA) under the growth-limiting conditions in the members of the genus Bacillus. Results: The comparative in vitro and in silico analysis of the phaC subunit of type IV PHA synthases among Bacillus cereus FA11, B. cereus FC11, and B. cereus FS1 was done in our study to determine its structural and functional properties. Conserved domain analysis demonstrated that phaC subunit belongs to the alpha/beta (alpha/beta) hydrolase fold. The catalytic triad comprising of cysteine (Cys), histidine (His), and aspartate (Asp) was found to be present at the active site. A shorter inter-atomic distance was found between the carboxyl (-COO) group of Asp and amino (NH2) group of His. Furthermore, slightly long inter-atomic distances between sulfhydryl (SH) group of Cys and NH2 group of His may be pointing toward the broader substrate specificity of type IV PHA synthases. However, a shorter distance between the SH group of Cys and NH2 group of His in case of B. cereus FC11 leads to a higher enzymatic activity and maximum PHA yield (49.26%). Conclusion: The in silico study verifies that the close proximity between SH group of Cys and NH2 group of His in phaC subunit of type IV PHA synthases can be crucial for synthesis of scl-PHA. However, the catalytic activity of type IV PHA synthases declines as the distance between the sulfur (S) atom of the SH group of Cys and the nitrogen (N) atom of NH2 group of His increases.
机译：背景：IV型PHA合酶是一种关键酶，可在芽孢杆菌属成员的生长受限条件下催化无毒，生物相容性和可生物降解的短链长度聚羟基链烷酸酯（scl-PHA）的形成。结果：在我们的研究中，对蜡状芽孢杆菌FA11，蜡状芽孢杆菌FC11和蜡状芽孢杆菌FS1中IV型PHA合成酶的phaC亚单位进行了体外和计算机模拟比较，以确定其结构和功能特性。保守的域分析表明，phaC亚基属于alpha / beta（alpha / beta）水解酶折叠。发现由半胱氨酸（Cys），组氨酸（His）和天冬氨酸（Asp）组成的催化三联体存在于活性位点。发现Asp的羧基（-COO）与His的氨基（NH2）之间的原子间距离更短。此外，Cys的巯基（SH）基团和His的NH2基团之间的原子间距离稍长，可能表明IV型PHA合成酶具有较宽的底物特异性。然而，在蜡样芽孢杆菌FC11的情况下，Cys的SH基团与His的NH 2基团之间的距离较短，导致较高的酶活性和最大的PHA产量（49.26％）。结论：计算机研究表明，IV型PHA合成酶的phaC亚基中Cys的SH基团和His的NH2基团之间的紧密接近对scl-PHA的合成至关重要。但是，随着Cys的SH基团的硫（S）原子与His的NH2基团的氮（N）之间的距离增加，IV型PHA合成酶的催化活性下降。

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