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. 2020 Jul 24;3(4):783–785. doi: 10.1021/acsptsci.0c00081

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Copyright © 2020 American Chemical Society

This article is made available via the ACS COVID-19 subset for unrestricted RESEARCH re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for the duration of the World Health Organization (WHO) declaration of COVID-19 as a global pandemic.

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(A) Cartoon represents the attachment of SARS-CoV-2 (sky blue sphere with spike) and hACE2 (green rod). (B) Crystal structure of spike protein (sky blue) bound hACE2 (green) complex (PDB: 6m0j),^2b (C) Selective amino acid residues at the contact interface between spike protein and hACE2 are highlighted with numbering (for simplicity, noncovalent interactions lines are omitted). H-bonding interaction: K417_(COVID-19)---D30_(ACE2), G446_(COVID-19)---Q42_(ACE2), Y449_(COVID-19)---D38_(ACE2), Y449_(COVID-19)---Q42_(ACE2), Y453_(COVID-19)---H34_(ACE2), A475_(COVID-19)---S19_(ACE2), F486_(COVID-19)---Y83_(ACE2), N487_(COVID-19)---Q24_(ACE2), Q493_(COVID-19)---E35_(ACE2), G496_(COVID-19)---D38_(ACE2), G496_(COVID-19)---K353_(ACE2), Q498_(COVID-19)---Q42_(ACE2), T500_(COVID-19)---Y41_(ACE2), N501_(COVID-19)---Y41_(ACE2). Electrostatic interaction: G502_(COVID-19)---K353_(ACE2), K417_(COVID-19)---D30_(ACE2), E484_(COVID-19)---K31_(ACE2), L455_(COVID-19)---H34_(ACE2). Hydrophobic interaction: F486_(COVID-19)---M82_(ACE2), Y489_(COVID-19)---K31_(ACE2), Y505_(COVID-19)----K353_(ACE2).