8DA7

Coevolved affibody-Z domain pair LL1.c6

8DA7 の概要

• エントリーDOI: 10.2210/pdb8da7/pdb
• 関連するPDBエントリー: 8DA3 8DA4 8DA5 8DA6 8DA8 8DA9 8DAA 8DAB 8DAC
• 分子名称: Immunoglobulin G-binding protein A, affibody LL1.FIFV, MALONATE ION, ... (4 entities in total)
• 機能のキーワード: affibody, protein binding
• 由来する生物種: Staphylococcus aureus; 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 15718.51

構造登録者

Jude, K.M.,Yang, A.,Garcia, K.C. (登録日: 2022-06-13, 公開日: 2023-07-26, 最終更新日: 2026-03-04)

主引用文献

Yang, A.,Jude, K.M.,Lai, B.,Minot, M.,Kocyla, A.M.,Glassman, C.R.,Nishimiya, D.,Kim, Y.S.,Reddy, S.T.,Khan, A.A.,Garcia, K.C.
Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381:eadh1720-eadh1720, 2023

PubMed Abstract: Fine-tuning of protein-protein interactions occurs naturally through coevolution, but this process is difficult to recapitulate in the laboratory. We describe a platform for synthetic protein-protein coevolution that can isolate matched pairs of interacting muteins from complex libraries. This large dataset of coevolved complexes drove a systems-level analysis of molecular recognition between Z domain-affibody pairs spanning a wide range of structures, affinities, cross-reactivities, and orthogonalities, and captured a broad spectrum of coevolutionary networks. Furthermore, we harnessed pretrained protein language models to expand, in silico, the amino acid diversity of our coevolution screen, predicting remodeled interfaces beyond the reach of the experimental library. The integration of these approaches provides a means of simulating protein coevolution and generating protein complexes with diverse molecular recognition properties for biotechnology and synthetic biology.

PubMed: 37499032
DOI: 10.1126/science.adh1720

実験手法

X-RAY DIFFRACTION (1.02 Å)