globalchange  > 气候变化与战略
DOI: 10.1073/pnas.1911349117
论文题名:
On the evolution of protein-adenine binding
作者: Narunsky A.; Kessel A.; Solan R.; Alva V.; Kolodny R.; Ben-Tal N.
刊名: Proceedings of the National Academy of Sciences of the United States of America
ISSN: 0027-8424
出版年: 2020
卷: 117, 期:9
起始页码: 4701
结束页码: 4709
语种: 英语
英文关键词: Computational biology ; Ligand binding ; Molecular evolution ; Molecular recognition ; Structural biology
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
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.
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资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/163490
Appears in Collections:气候变化与战略

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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

Recommended Citation:
Narunsky A.,Kessel A.,Solan R.,et al. On the evolution of protein-adenine binding[J]. Proceedings of the National Academy of Sciences of the United States of America,2020-01-01,117(9)
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