Author: Cecylia S. Lupala; Xuanxuan Li; Jian Lei; Hong Chen; Jianxun Qi; Haiguang Liu; Xiao-dong Su
Title: Computational simulations reveal the binding dynamics between human ACE2 and the receptor binding domain of SARS-CoV-2 spike protein Document date: 2020_3_27
ID: kifqgskc_35
Snippet: It has been demonstrated that the ACE2 from several mammalian species possess high sequence similarities, yet their binding to the SARS-RBD differs significantly. In particular, the binding of SARS-RBD to the rat ACE2 is much weaker as discovered in experiments 12 . Inspired by these information, two mutants of the CoV2-RBD/ACE2 were constructed: (1) ACE2-mut-h1 by mutating N-terminal helix-1 to that of the rat ACE2; (2) ACE2-K353H by mutating K3.....
Document: It has been demonstrated that the ACE2 from several mammalian species possess high sequence similarities, yet their binding to the SARS-RBD differs significantly. In particular, the binding of SARS-RBD to the rat ACE2 is much weaker as discovered in experiments 12 . Inspired by these information, two mutants of the CoV2-RBD/ACE2 were constructed: (1) ACE2-mut-h1 by mutating N-terminal helix-1 to that of the rat ACE2; (2) ACE2-K353H by mutating K353 to Histidine (the amino acid in wild type Rat ACE2).
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