General repository for the work "Computational design of highly efficient thermostable MHET hydrolases and engineering of a dual-enzyme system for PET recycling" in Communications Biology

by Jun Zhang, Hongzhao Wang, Zhaorong Luo, Zhengwu Yang, Pengyu Wang, Mengyu Li, Yue Feng*, Diannan Lu*, Yushan Zhu*

The file "KL-FAST.pdb" is the predicted structure file of the KL-FAST dual enzyme multimer;other files are the predicted structures file of the fusion enzymes mentioned in the text.

The files in folder "PRODA results & MD initial coordinates" were the design results of PRODA as well as the MD input coordinates for the experimental mutants.

Moreover, other data, scripts or structures associated to this work will be available upon request to the author (zhuys@mail.buct.edu.cn).