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DOI	10.1073/pnas.1911349117
	On the evolution of protein-adenine binding
	Narunsky A.; Kessel A.; Solan R.; Alva V.; Kolodny R.; Ben-Tal N.
发表日期	2020
ISSN	0027-8424
起始页码	4701
结束页码	4709
卷号	117 期号:9
英文摘要	Proteins' interactions with ancient ligands may reveal how molecular recognition emerged and evolved. We explore how proteins recognize adenine: a planar rigid fragment found in the most common and ancient ligands. We have developed a computational pipeline that extracts protein-adenine complexes from the Protein Data Bank, structurally superimposes their adenine fragments, and detects the hydrogen bonds mediating the interaction. Our analysis extends the known motifs of protein-adenine interactions in the Watson-Crick edge of adenine and shows that all of adenine's edges may contribute to molecular recognition. We further show that, on the proteins' side, binding is often mediated by specific amino acid segments (“themes”) that recur across different proteins, such that different proteins use the same themes when binding the same adenine-containing ligands. We identify numerous proteins that feature these themes and are thus likely to bind adenine-containing ligands. Our analysis suggests that adenine binding has emerged multiple times in evolution. © 2020 National Academy of Sciences. All rights reserved.
英文关键词	Computational biology; Ligand binding; Molecular evolution; Molecular recognition; Structural biology
语种	英语
scopus关键词	adenine; ligand; adenine; protein binding; Article; binding affinity; binding site; complex formation; hydrogen bond; molecular recognition; priority journal; protein binding; protein domain; protein interaction; protein motif; chemistry; metabolism; molecular docking; molecular evolution; procedures; protein conformation; sequence analysis; software; Adenine; Binding Sites; Evolution, Molecular; Hydrogen Bonding; Molecular Docking Simulation; Protein Binding; Protein Conformation; Sequence Analysis, Protein; Software
来源期刊	Proceedings of the National Academy of Sciences of the United States of America
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/160313
作者单位	Narunsky, A., Department of Biochemistry and Molecular Biology, George S. Wise Faculty of Life Sciences, Tel Aviv University, Ramat Aviv, 69978, Israel; Kessel, A., Department of Biochemistry and Molecular Biology, George S. Wise Faculty of Life Sciences, Tel Aviv University, Ramat Aviv, 69978, Israel; Solan, R., Department of Biochemistry and Molecular Biology, George S. Wise Faculty of Life Sciences, Tel Aviv University, Ramat Aviv, 69978, Israel; Alva, V., Department of Protein Evolution, Max Planck Institute for Developmental Biology, Tübingen, 72076, Germany; Kolodny, R., Department of Computer Science, University of Haifa, Mount Carmel, Haifa, 3498838, Israel; Ben-Tal, N., Department of Biochemistry and Molecular Biology, George S. Wise Faculty of Life Sciences, Tel Aviv University, Ramat Aviv, 69978, Israel
推荐引用方式 GB/T 7714	Narunsky A.,Kessel A.,Solan R.,et al. On the evolution of protein-adenine binding[J],2020,117(9).
APA	Narunsky A.,Kessel A.,Solan R.,Alva V.,Kolodny R.,&Ben-Tal N..(2020).On the evolution of protein-adenine binding.Proceedings of the National Academy of Sciences of the United States of America,117(9).
MLA	Narunsky A.,et al."On the evolution of protein-adenine binding".Proceedings of the National Academy of Sciences of the United States of America 117.9(2020).