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结论是没太看明白，SARS-Cov S 蛋白与ACE2作用是-78.6kcal/mol, 武汉Cov S蛋白与 ACE2作用是-50.6kcal/mol，这不说明SARS感染性更强嘛？作者接着来了几个Although，despite从句，也没说明白为啥实际武汉Cov感染性更强。
“The binding free energy between the Wuhan CoV S-protein and human ACE2 was –50.6 kcal mol–1, whereas that between SARS-CoV S-protein and ACE2 was –78.6 kcal mol–1. A value of –10 kcal mol–1 is usually considered significant. Because of the loss of hydrogen bond interactions due to replacing Arg426 with Asn426 in the Wuhan CoV S-protein, the binding free energy for the Wuhan CoV S-protein increased by 28 kcal mol–1 when compared to the SARS-CoV S-protein binding. Although comparably weaker, the Wuhan CoV S-protein is regarded to have strong binding affinity to human ACE2. So to our surprise, despite replacing four out of five important interface amino acid residues, the Wuhan CoV S-protein was found to have a significant binding affinity to human ACE2. Looking more closely, the replacing residues at positions 442, 472, 479, and 487 in the Wuhan CoV S-protein did not alter the structural confirmation. The Wuhan CoV S-protein and SARS-CoV S-protein shared an almost identical 3-D structure in the RBD domain, thus maintaining similar van der Waals and electrostatic properties in the interaction interface.” |
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发表于 Post on 2020-1-22 05:01:02
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