Author: Esther S. Brielle; Dina Schneidman-Duhovny; Michal Linial
Title: The SARS-CoV-2 exerts a distinctive strategy for interacting with the ACE2 human receptor Document date: 2020_3_12
ID: jpkxjn6e_10
Snippet: The structural model of the COVID-19 spike protein receptor binding domain (RBD) in complex with ACE2 was generated by comparative modeling using Modeller 9.18 (27) with the COVID-19 sequence (RefSeq: YP_009724390.1). We relied on the crystal structure of the spike protein receptor-binding domain from a SARS coronavirus designed human strain complexed with the human receptor ACE2 (PDB 3SCI, resolution 2.9Ã…) as a template for comparative modeling.....
Document: The structural model of the COVID-19 spike protein receptor binding domain (RBD) in complex with ACE2 was generated by comparative modeling using Modeller 9.18 (27) with the COVID-19 sequence (RefSeq: YP_009724390.1). We relied on the crystal structure of the spike protein receptor-binding domain from a SARS coronavirus designed human strain complexed with the human receptor ACE2 (PDB 3SCI, resolution 2.9Ã…) as a template for comparative modeling. The SARS-2002 spike protein RBD and HCoV-NL63 in complex with ACE2 were taken from PDB 2AJF (resolution 2.9Ã…) and 3KBH (resolution 3.3Ã…), respectively. Missing residues were added in MODELLER. MERS RBD structure was taken from the complex with the neutralizing antibody CDC2-C2 (PDB 6C6Z, resolution 2.1Ã…) and structurally aligned onto SARS-2002 RBD in complex with ACE2 receptor. The designed variant is from PDB 3SCI.
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