Chlorine in PDB 7kgo: Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N351-359

The structure of Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N351-359, PDB code: 7kgo was solved by C.Szeto, D.S.M.Chatzileontiadou, A.Riboldi-Tunnicliffe, S.Gras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.51 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.794, 78.254, 111.511, 90, 90, 90
R / Rfree (%)	18.3 / 22.9

The structure of Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N351-359 also contains other interesting chemical elements:

Nickel	(Ni)	3 atoms
Cadmium	(Cd)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N351-359 (pdb code 7kgo). 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 Hla-A*0201IN Complex with Sars-Cov-2 N351-359, PDB code: 7kgo:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N351-359


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 Hla-A*0201IN Complex with Sars-Cov-2 N351-359 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:49.9 occ:1.00 O A:HOH476 3.1 44.8 1.0 OG1 A:THR178 3.3 38.2 1.0 O A:HOH497 3.7 50.5 1.0 CD1 A:TRP51 3.8 36.7 1.0 CB A:GLU177 4.0 47.4 1.0 N A:THR178 4.0 36.9 1.0 CG2 A:THR178 4.1 33.8 1.0 O A:GLY175 4.1 38.3 1.0 CB A:TRP51 4.1 36.7 1.0 CA A:GLY175 4.2 33.0 1.0 CB A:THR178 4.3 38.0 1.0 C A:GLY175 4.3 37.2 1.0 CG A:PRO50 4.3 46.8 1.0 CG A:TRP51 4.3 40.5 1.0 N A:GLU177 4.5 43.9 1.0 CA A:GLU177 4.6 43.7 1.0 C A:GLU177 4.6 44.7 1.0 N A:TRP51 4.7 36.4 1.0 CA A:THR178 4.8 37.1 1.0 O A:ASN174 4.8 41.4 1.0 CG A:GLU177 4.9 59.5 1.0 CA A:TRP51 4.9 42.7 1.0 NE1 A:TRP51 4.9 33.0 1.0 O A:HOH416 5.0 33.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N351-359


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 Hla-A*0201IN Complex with Sars-Cov-2 N351-359 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:66.7 occ:1.00 O A:HOH459 3.0 40.3 1.0 CH2 A:TRP274 3.5 52.8 1.0 CZ2 A:TRP274 3.8 50.7 1.0 O A:HIS191 3.8 33.9 1.0 CB A:HIS191 3.9 34.8 1.0 ND1 A:HIS191 4.3 34.4 1.0 N A:HIS191 4.5 31.8 1.0 CG A:HIS191 4.5 36.9 1.0 C A:HIS191 4.5 35.9 1.0 CA A:HIS191 4.6 36.8 1.0 CZ3 A:TRP274 4.6 39.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N351-359


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 Hla-A*0201IN Complex with Sars-Cov-2 N351-359 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:47.4 occ:1.00 NZ B:LYS75 2.4 68.5 1.0 N B:GLU74 3.8 45.3 1.0 CE B:LYS75 3.8 71.7 1.0 CA B:THR73 3.9 41.2 1.0 CB B:THR73 4.0 40.3 1.0 CB B:ASN17 4.1 32.5 1.0 C B:THR73 4.4 49.1 1.0 CG2 B:THR73 4.4 38.4 1.0 CD B:GLU74 4.6 65.2 1.0 N B:GLY18 4.6 34.6 1.0 CB B:GLU74 4.6 39.2 1.0 CG B:ASN17 4.6 41.4 1.0 OE2 B:GLU74 4.7 59.5 1.0 C B:ASN17 4.8 34.4 1.0 OE1 B:GLU74 4.8 48.0 1.0 CG B:GLU74 4.8 61.6 1.0 CA B:GLU74 4.8 46.0 1.0 ND2 B:ASN17 4.9 46.9 1.0 CD B:LYS75 4.9 66.7 1.0 CA B:ASN17 4.9 34.2 1.0

C.Szeto, D.S.M.Chatzileontiadou, A.T.Nguyen, H.Sloane, C.A.Lobos, D.Jayasinghe, H.Halim, C.Smith, A.Riboldi-Tunnicliffe, E.J.Grant, S.Gras. The Presentation of Sars-Cov-2 Peptides By the Common Hla-A*02:01 Molecule To Be Published.