AlphaFold3 和 AlphaFold2 预测的血红素蛋白中血红素结合位点的结构比较

IF 1.4 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Chemistry Letters Pub Date : 2024-08-22 DOI:10.1093/chemle/upae148

Hiroko X Kondo, Yu Takano

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引用次数: 0

摘要

AlphaFold3 可以预测蛋白质配体复合物结构。本研究考察了 AlphaFold3 预测血红素-蛋白质相互作用的准确性。除了那些在蛋白质数据库中没有同源蛋白的血红素蛋白外，AlphaFold3成功地预测了大多数血红素蛋白与蛋白质之间的相互作用。我们对 AlphaFold3 和 AlphaFold2 的预测结果进行了比较，结果表明，使用 AlphaFold2 可以仅根据蛋白质的氨基酸序列预测血红素蛋白的结构。

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Structure comparison of heme-binding sites in heme protein predicted by AlphaFold3 and AlphaFold2

AlphaFold3 can predict protein–ligand complex structures. In this study, we examined the accuracy of prediction of heme–protein interactions by AlphaFold3. AlphaFold3 succeeded in predicting heme–protein interactions for most heme proteins except for those without homologous proteins in the Protein Data Bank. Our comparison of predictions by AlphaFold3 and AlphaFold2 suggests that heme–protein structures can be predicted from amino acid sequences of proteins alone using AlphaFold2.

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来源期刊

Chemistry Letters 化学-化学综合

CiteScore

3.00

自引率

6.20%

发文量

260

审稿时长

1.2 months

期刊介绍： Chemistry Letters covers the following topics: -Organic Chemistry- Physical Chemistry- Inorganic Chemistry- Analytical Chemistry- Materials Chemistry- Polymer Chemistry- Supramolecular Chemistry- Organometallic Chemistry- Coordination Chemistry- Biomolecular Chemistry- Natural Products and Medicinal Chemistry- Electrochemistry