Chlorine in PDB 7r6x: Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2E12 Fab, S309 Fab, and S304 Fab

The structure of Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2E12 Fab, S309 Fab, and S304 Fab, PDB code: 7r6x was solved by G.Snell, N.Czudnochowski, T.I.Croll, J.C.Nix, D.Corti, E.Cameroni, D.Pinto, M.Beltramello, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.95
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	245.87, 245.87, 237.31, 90, 90, 90
R / Rfree (%)	23.2 / 26.2

The binding sites of Chlorine atom in the Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2E12 Fab, S309 Fab, and S304 Fab (pdb code 7r6x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2E12 Fab, S309 Fab, and S304 Fab, PDB code: 7r6x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2E12 Fab, S309 Fab, and S304 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2E12 Fab, S309 Fab, and S304 Fab within 5.0Å range: probe atom residue distance (Å) B Occ R:Cl602 b:119.4 occ:1.00 N R:PHE377 3.3 80.2 1.0 O R:PHE377 3.3 82.9 1.0 C R:PHE377 3.6 79.6 1.0 CA R:PHE377 3.9 79.2 1.0 CD L:PRO95 4.2 83.6 1.0 CG R:LYS378 4.2 78.4 1.0 CB R:PHE377 4.3 79.9 1.0 C R:THR376 4.3 79.9 1.0 CG L:PRO95 4.3 85.0 1.0 N R:LYS378 4.3 76.9 1.0 CA R:THR376 4.4 83.0 1.0 NZ H:LYS64 4.5 105.6 1.0 O H:TYR59 4.7 86.7 1.0 CA R:LYS378 4.9 76.6 1.0 O R:SER375 4.9 90.3 1.0 CE R:LYS378 5.0 83.8 1.0 CD R:LYS378 5.0 80.0 1.0

Chlorine binding site 2 out of 2 in the Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2E12 Fab, S309 Fab, and S304 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2E12 Fab, S309 Fab, and S304 Fab within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:92.8 occ:1.00 N A:TRP47 3.0 72.1 1.0 N B:PHE98 3.6 70.4 1.0 CA A:GLU46 3.6 71.6 1.0 CD2 B:PHE98 3.8 64.7 1.0 CB A:TRP47 3.8 72.7 1.0 C A:GLU46 3.8 71.4 1.0 CA B:THR97 3.8 73.6 1.0 CA A:TRP47 4.0 72.2 1.0 O A:LEU45 4.2 72.3 1.0 C B:THR97 4.2 71.4 1.0 CB B:PHE98 4.4 66.2 1.0 O B:LEU96 4.4 78.7 1.0 CG A:GLU46 4.5 77.6 1.0 O A:TRP47 4.5 72.8 1.0 CB A:GLU46 4.5 73.3 1.0 CG B:PHE98 4.6 64.7 1.0 CB B:THR97 4.6 75.6 1.0 CA B:PHE98 4.6 69.1 1.0 N A:GLU46 4.6 70.1 1.0 CE2 B:PHE98 4.7 64.4 1.0 C A:TRP47 4.7 72.8 1.0 C A:LEU45 4.8 69.6 1.0 N B:THR97 4.8 74.7 1.0 CG2 B:THR97 5.0 79.7 1.0

T.N.Starr, N.Czudnochowski, F.Zatta, Y.J.Park, Z.Liu, A.Addetia, D.Pinto, M Beltramello, P.Hernandez, A.J.Greaney, R.Marzi, W.G.Glass, I.Zhang, A.S.Dingens, J.E.Bowen, J.A.Wojcechowskyj, A.De Marco, L.E.Rosen, J.Zhou, M.Montiel-Ruiz, H.Kaiser, H.Tucker, M.P.Housley, J.De Iulio, G.Lombardo, M.Agostini, N.Sprugasci, K.Culap, S.Jaconi, M.Meury, E.Dellota, E.Cameroni, T.I.Croll, J.C.Nix, C.Havenar-Daughton, A.Telenti, F.A.Lempp, M.S.Pizzuto, J.D.Chodera, C.M.Hebner, S.P.J.Whelan, H.W.Virgin, D.Veesler, D.Corti, J.D.Bloom, G.Snell. Sars-Cov-2 Rbd Antibodies That Maximize Breadth and Resistance to Escape Nature 2021.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-021-03807-6