Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2022 Jul 27;8(2):veac063. doi: 10.1093/ve/veac063

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© The Author(s) 2022. Published by Oxford University Press.

This is an Open Access article distributed under the terms of the Creative Commons Attribution-NonCommercial License (https://creativecommons.org/licenses/by-nc/4.0/), which permits non-commercial re-use, distribution, and reproduction in any medium, provided the original work is properly cited. For commercial re-use, please contact journals.permissions@oup.com

PMC Copyright notice

Figure 3. — Modeling RBD changes. RBD substitutions for MA viruses were modeled using PyMOL (PDB: 7DF4) to visualize their potential effects on mACE2 binding. (A) Interactions between SARS-CoV-2_QLD02 RBD and mACE2 are predicted between Q493 and N31/Q34, N501, and H353, and Q498 and Y41 (dashed lines/pale turquoise ovals). These interactions are insufficient to support replication and are largely retained for MA viruses and mACE2. (B) MA1 has additional predicted interactions between H498 and Y41 (magenta oval). (C–F) MA2-5 have additional predicted interactions between K/R493 and N31/Q34 (C–F, magenta ovals). Green = ACE2. Yellow = hACE2 residues changed to mACE2. Blue = SARS-CoV-2 spike RBD. Black-dotted interactions represent hydrogen bonds, and yellow-dotted lines represent any interactions within 3.5 Å.