Prakash Vivek, Ranbhor Ranjit, Ramakrishnan Vibin
Department of Biosciences and Bioengineering, Indian Institute of Technology Guwahati, Guwahati 781039, India.
Department of Biosciences and Bioengineering, Indian Institute of Technology Bombay, Mumbai 400076, India.
ACS Omega. 2020 Oct 6;5(41):26382-26388. doi: 10.1021/acsomega.0c02574. eCollection 2020 Oct 20.
Diversification of chain stereochemistry offers a tremendous increase in protein design space. We have designed a minimal fluorescent protein, pregnant with β-(1-azulenyl)-l-alanine in the hydrophobic core of a heterotactic protein scaffold, employing automated design tools such as automated repetitive simulated annealing molecular dynamics and IDeAS. The designed heterochiral protein can be selectively excited at 342 nm, quite distant from the intrinsic fluorophore, and emits in the blue region. The structure and stability of the designed proteins were evaluated by established spectroscopic and calorimetric methods.
链立体化学的多样化极大地扩展了蛋白质设计空间。我们利用自动重复模拟退火分子动力学和IDeAS等自动化设计工具,设计了一种最小荧光蛋白,在异规蛋白支架的疏水核心中引入了β-(1-薁基)-L-丙氨酸。所设计的异手性蛋白能够在342 nm处被选择性激发,该波长与固有荧光团相距甚远,并在蓝色区域发射荧光。通过既定的光谱和量热法对所设计蛋白质的结构和稳定性进行了评估。