Chlorine in PDB 7r6w: Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2X35 Fab and S309 Fab

The structure of Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2X35 Fab and S309 Fab, PDB code: 7r6w was solved by G.Snell, N.Czudnochowski, P.Hernandez, J.C.Nix, T.I.Croll, 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)	38.91 / 1.83
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	106.267, 239.372, 129.806, 90, 90, 90
R / Rfree (%)	21.1 / 23.2

The binding sites of Chlorine atom in the Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2X35 Fab and S309 Fab (pdb code 7r6w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2X35 Fab and S309 Fab, PDB code: 7r6w:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2X35 Fab and S309 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 S2X35 Fab and S309 Fab within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:63.9 occ:1.00 N A:GLN62 3.6 42.1 1.0 O A:HOH479 3.6 46.5 1.0 OG B:SER95 3.7 36.8 1.0 O B:HOH414 3.8 41.4 1.0 CA A:ALA61 4.0 36.9 1.0 CB A:GLN62 4.2 48.0 1.0 C A:ALA61 4.3 39.2 1.0 CB A:ALA61 4.3 35.9 1.0 CA A:GLN62 4.5 45.4 1.0 CZ3 A:TRP47 4.6 34.4 1.0 CB B:SER95 4.6 36.8 1.0

Chlorine binding site 2 out of 3 in the Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2X35 Fab and S309 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 S2X35 Fab and S309 Fab within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:75.5 occ:1.00 OG1 H:THR150 2.6 56.8 1.0 N H:THR150 3.2 57.6 1.0 CB H:THR150 3.4 55.0 1.0 C H:GLY149 3.6 59.6 1.0 CA H:GLY149 3.8 62.5 1.0 CA H:THR150 3.9 55.0 1.0 N H:GLY149 4.1 63.9 1.0 O H:GLY149 4.3 58.6 1.0 CB H:SER147 4.3 66.3 1.0 O H:SER147 4.3 64.2 1.0 C H:SER147 4.5 66.5 1.0 CA H:SER147 4.5 68.2 1.0 CG2 H:THR150 4.8 53.0 1.0

Chlorine binding site 3 out of 3 in the Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2X35 Fab and S309 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Sars-Cov-2 Spike Receptor-Binding Domain (Rbd) in Complex with S2X35 Fab and S309 Fab within 5.0Å range: probe atom residue distance (Å) B Occ R:Cl605 b:35.6 occ:1.00 N L:ASP34 3.1 30.8 1.0 O R:HOH789 3.2 62.0 1.0 NH1 R:ARG408 3.2 41.6 1.0 O L:HOH472 3.3 28.5 1.0 NH2 R:ARG408 3.3 40.4 1.0 CG L:ASP34 3.6 32.7 1.0 O L:HOH425 3.6 35.1 1.0 CB H:TYR112 3.7 31.7 1.0 CB L:ASP34 3.7 31.6 1.0 CZ R:ARG408 3.8 40.1 1.0 O H:TYR112 3.8 32.5 1.0 CA L:TYR33 3.8 31.8 1.0 OD2 L:ASP34 3.9 34.5 1.0 CD1 L:TYR33 3.9 32.0 1.0 C L:TYR33 4.0 31.3 1.0 CA L:ASP34 4.0 31.0 1.0 OD1 L:ASP34 4.1 31.8 1.0 CB L:TYR33 4.2 31.4 1.0 CA H:TYR112 4.2 31.3 1.0 CD1 H:TYR112 4.3 32.1 1.0 CG H:TYR112 4.3 31.8 1.0 C H:TYR112 4.5 31.6 1.0 CG L:TYR33 4.6 31.8 1.0 O L:GLY32 4.8 33.7 1.0 O L:ASP34 4.9 30.3 1.0 CE1 L:TYR33 4.9 32.3 1.0 C L:ASP34 5.0 30.4 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