Description

This model includes SARS-CoV-2 Spike S Protein (open state) and ACE2 (PathogenAR). This model was not originally intended for 3D Printing, so try at your own risk. The S protein model was imported from CHARMM-GUI http://www.charmm-gui.org/?doc=archive&lib=covid19 representing open (PDB 6VSB_1_1_1) state into ChimeraX. With reference to https://pubs.acs.org/doi/10.1021/acs.jpcb.0c0455, the S1 and S2 domains were colored (amino acids (aa) 1-685, 686-1273), then predicted regions were colored (amino acids (aa) 1-25, 67-75, 143-155, 177-186, 247-260, 329-334, 455-490, 621-639, 673-686, 829-852, 1148-1273). The computed lipid membrane was added to the ChimeraX scene from the http://www.charmm-gui.org/?doc=archive&lib=covid1 CHARMM-GUI(6VSB_1_1_1.tgz) and aligned to the above models using the 6VSB model within that file. ACE2 was added to the scene using data from PDB 6M17 which includes the S protein receptor-binding domain (RBD) and B0AT protein. B0AT was removed and the RBD was used to align ACE2 to the open RBD in the 6VSB model.