Author: Zehua Zeng; Zhi Luo; Hongwu Du
Title: Predictions for the binding domain and potential new drug targets of 2019-nCoV Document date: 2020_3_2
ID: fvig79k3_25
Snippet: In the functional prediction model of proteins, binding sites ranking from 1st to 5th were PDB ID 7 : 3srcA (C Sore=0.05), 1a5tA (C Sore= 0.03), 4dv3B (C Sore= 0.03), 4fmal (C Sore= 0.03), and 5hhja (C Sore= 0.02) (Supplementary Table 4 ), respectively. Further analysis of the binding site ranking the first showed that it was the binding site of Acyl-homoserine lactone acylase (PvdQ) which catalyzes the deacylation of acylhomoserine lactone (AHL .....
Document: In the functional prediction model of proteins, binding sites ranking from 1st to 5th were PDB ID 7 : 3srcA (C Sore=0.05), 1a5tA (C Sore= 0.03), 4dv3B (C Sore= 0.03), 4fmal (C Sore= 0.03), and 5hhja (C Sore= 0.02) (Supplementary Table 4 ), respectively. Further analysis of the binding site ranking the first showed that it was the binding site of Acyl-homoserine lactone acylase (PvdQ) which catalyzes the deacylation of acylhomoserine lactone (AHL or acyl-HSL), releasing homoserine lactone (HSL) and the corresponding fatty acid (figure 3), and the residues of binding site were Thr-874, Leu-877, and Leu-878 with binding affinity IC50=130 µM (from pdbbind-cn).
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