Chlorine in PDB 7pr0: Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in Complex with Fd-5D Fab

The structure of Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in Complex with Fd-5D Fab, PDB code: 7pr0 was solved by D.Zhou, J.Ren, D.I.Stuart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.50 / 2.92
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	231.308, 146.064, 78.578, 90, 103.68, 90
R / Rfree (%)	21.4 / 25.1

The binding sites of Chlorine atom in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in Complex with Fd-5D Fab (pdb code 7pr0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in Complex with Fd-5D Fab, PDB code: 7pr0:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in Complex with Fd-5D Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in Complex with Fd-5D Fab within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl303 b:116.1 occ:1.00 O L:LEU55 3.2 114.4 1.0 N L:ASN36 3.3 113.4 1.0 CA L:TYR35 3.8 116.6 1.0 ND2 L:ASN36 3.8 114.5 1.0 C L:TYR35 4.0 118.8 1.0 O L:GLY34 4.0 124.8 1.0 CB L:ASN36 4.1 107.6 1.0 CD1 L:TYR35 4.1 114.8 1.0 CA L:ASN36 4.3 107.4 1.0 C L:LEU55 4.3 108.2 1.0 CG L:ASN36 4.4 111.6 1.0 OG L:SER57 4.4 111.2 1.0 CB L:TYR35 4.5 118.9 1.0 O L:ASN36 4.8 111.2 1.0 N L:TYR35 4.8 120.5 1.0 CG L:TYR35 4.8 115.0 1.0 C L:GLY34 4.8 121.3 1.0 ND2 L:ASN58 4.9 114.1 1.0 CA L:GLY56 4.9 102.3 1.0 C L:ASN36 5.0 106.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in Complex with Fd-5D Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in Complex with Fd-5D Fab within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl403 b:119.4 occ:1.00 N H:GLY112 3.5 111.5 1.0 CA H:GLY112 3.6 114.2 1.0 O E:GLY446 3.7 135.6 1.0 CE2 L:TYR35 4.0 113.7 1.0 OH L:TYR37 4.1 140.9 1.0 CD2 L:TYR35 4.1 112.2 1.0 N H:TYR113 4.4 121.7 1.0 CA E:GLY446 4.5 125.0 1.0 C E:GLY446 4.5 135.7 1.0 C H:GLY112 4.5 115.3 1.0 ND2 L:ASN33 4.6 122.4 1.0 C H:PHE111 4.7 107.8 1.0 CZ L:TYR35 5.0 114.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in Complex with Fd-5D Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Receptor Binding Domain of Sars-Cov-2 Spike Glycoprotein in Complex with Fd-5D Fab within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl301 b:117.7 occ:1.00 N G:GLY112 3.7 132.8 1.0 CA G:GLY112 3.8 128.7 1.0 CE1 G:PHE111 4.0 153.3 1.0 OH F:TYR37 4.1 137.8 1.0 O D:GLY446 4.1 127.2 1.0 CD1 G:PHE111 4.1 141.8 1.0 CE2 F:TYR35 4.5 145.2 1.0 CD2 F:TYR35 4.6 141.5 1.0 ND2 F:ASN33 4.7 158.5 1.0 C G:PHE111 4.9 136.3 1.0 C D:GLY446 4.9 124.5 1.0 C G:GLY112 4.9 125.7 1.0

K.A.Huang, D.Zhou, T.K.Tan, C.Chen, H.M.E.Duyvesteyn, Y.Zhao, H.M.Ginn, L.Qin, P.Rijal, L.Schimanski, R.Donat, A.Harding, J.Gilbert-Jaramillo, W.James, J.A.Tree, K.Buttigieg, M.Carroll, S.Charlton, C.E.Lien, M.Y.Lin, C.P.Chen, S.H.Cheng, X.Chen, T.Y.Lin, E.E.Fry, J.Ren, C.Ma, A.R.Townsend, D.I.Stuart. Structures and Therapeutic Potential of Anti-Rbd Human Monoclonal Antibodies Against Sars-Cov-2. Theranostics V. 12 1 2022.
ISSN: ISSN 1838-7640
PubMed: 34987630
DOI: 10.7150/THNO.65563