Cadmium in PDB 7kgs: Crystal Structure of Hla-A*0201 in Complex with Sars-Cov-2 N138-146

The structure of Crystal Structure of Hla-A*0201 in Complex with Sars-Cov-2 N138-146, PDB code: 7kgs 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)	45.29 / 1.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.028, 78.903, 110.604, 90, 90, 90
R / Rfree (%)	17.4 / 19.7

The binding sites of Cadmium atom in the Crystal Structure of Hla-A*0201 in Complex with Sars-Cov-2 N138-146 (pdb code 7kgs). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Crystal Structure of Hla-A*0201 in Complex with Sars-Cov-2 N138-146, PDB code: 7kgs:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Crystal Structure of Hla-A*0201 in Complex with Sars-Cov-2 N138-146


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of Hla-A*0201 in Complex with Sars-Cov-2 N138-146 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd301 b:20.0 occ:1.00 ND1 A:HIS191 2.3 23.0 1.0 O A:HIS191 2.4 18.5 1.0 CE1 A:HIS191 3.2 22.6 1.0 C A:HIS191 3.3 18.9 1.0 CG A:HIS191 3.4 20.2 1.0 CB A:HIS191 3.7 17.0 1.0 CA A:HIS191 4.0 15.8 1.0 N A:HIS192 4.1 16.3 1.0 CA A:HIS192 4.3 17.0 1.0 O A:HOH611 4.3 23.6 1.0 NE2 A:HIS191 4.4 22.2 1.0 CD2 A:HIS191 4.5 22.2 1.0 N A:HIS191 4.6 17.5 1.0 N A:ALA193 4.6 19.9 1.0 C A:HIS192 4.9 21.9 1.0

Cadmium binding site 2 out of 2 in the Crystal Structure of Hla-A*0201 in Complex with Sars-Cov-2 N138-146


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of Hla-A*0201 in Complex with Sars-Cov-2 N138-146 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd302 b:66.3 occ:1.00 OE2 A:GLU198 2.5 35.9 1.0 CD A:GLU198 3.3 45.6 1.0 ND1 A:HIS197 3.5 48.6 1.0 OE1 A:GLU198 3.5 35.8 1.0 CG A:HIS197 4.1 45.7 1.0 CB A:HIS197 4.1 40.4 1.0 CE1 A:HIS197 4.3 49.0 1.0 CG A:GLU198 4.7 38.1 1.0 OG A:SER195 5.0 32.7 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. Crystal Structure of Hla-A*0201 in Complex with Sars-Cov-2 N138-146 To Be Published.