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

被引：3

作者：

Kondo, Hiroko X. ^{[1
,2
]}

Takano, Yu ^{[2
]}

机构：

[1] Kitami Inst Technol, Fac Engn, 165 Koen Cho, Kitami, Hokkaido 0908507, Japan

[2] Hiroshima City Univ, Grad Sch Informat Sci, 3-4-1 Ozukahigashi Asaminamiku, Hiroshima, Hiroshima 7313194, Japan

来源：

CHEMISTRY LETTERS | 2024年 / 53卷 / 08期

基金：

日本学术振兴会;

关键词：

AlphaFold3; heme protein; pocket conformation; 3-DIMENSIONAL FOURIER SYNTHESIS; MYOGLOBIN; EFFICIENCY; DIVERSITY; DESIGN;

D O I：

10.1093/chemle/upae148

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页数：5

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