The specific applications of the TSR-based method in identifying Zn²⁺ binding sites of proteases and ACE/ACE2.

ABSTRACT: We have developed an alignment-free TSR (Triangular Spatial Relationship)-based computational method for protein structural comparison and motif identification and discovery. To demonstrate the potential applications of the method, we have generated two datasets. One dataset contains five classes: Actin/Hsp70, serine protease (chymotrypsin/trypsin/elastase), ArsC/Prdx2, PKA/PKB/PKC, and AChE/BChE at the hierarchical level 1 and twelve groups at the level 2. The other dataset includes representative proteases and ACE/ACE2. The x,y, z coordinates of the structures were obtained from PDB. We calculated the keys (or features) that represent each structure using the TSR-based method. The dataset and data presented here include additional information that help the readers become aware of specifi

SUBMITTER: Sarkar T 

PROVIDER: S-EPMC9679521 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature