Cadmium in PDB 7kgq: Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230

The structure of Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230, PDB code: 7kgq 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)	19.60 / 1.34
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.157, 79.714, 111.471, 90, 90, 90
R / Rfree (%)	17.9 / 19.8

The structure of Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Cadmium atom in the Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230 (pdb code 7kgq). 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*0201IN Complex with Sars-Cov-2 N222-230, PDB code: 7kgq:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230


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*0201IN Complex with Sars-Cov-2 N222-230 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd301 b:14.1 occ:1.00 O A:HOH688 2.2 16.0 1.0 ND1 A:HIS191 2.3 14.3 1.0 O A:HIS191 2.4 12.8 1.0 CE1 A:HIS191 3.2 14.7 1.0 C A:HIS191 3.2 13.3 1.0 CG A:HIS191 3.3 13.1 1.0 CB A:HIS191 3.6 12.9 1.0 CA A:HIS191 4.0 12.2 1.0 N A:HIS192 4.0 12.4 1.0 CA A:HIS192 4.2 12.6 1.0 O A:HOH654 4.4 17.6 1.0 NE2 A:HIS191 4.4 15.0 1.0 CD2 A:HIS191 4.5 14.6 1.0 N A:ALA193 4.5 13.6 1.0 N A:HIS191 4.6 12.7 1.0 C A:HIS192 4.9 14.0 1.0

Cadmium binding site 2 out of 2 in the Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230


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*0201IN Complex with Sars-Cov-2 N222-230 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd302 b:29.4 occ:1.00 O A:HOH466 2.2 28.2 1.0 NE2 A:HIS197 2.2 21.1 1.0 CA A:CA303 2.3 58.8 1.0 OE2 A:GLU198 2.4 24.6 1.0 CD2 A:HIS197 3.2 21.0 1.0 CD A:GLU198 3.2 30.1 1.0 CE1 A:HIS197 3.3 21.1 1.0 OE1 A:GLU198 3.4 23.5 1.0 CG A:HIS197 4.3 20.1 1.0 ND1 A:HIS197 4.4 21.6 1.0 O A:HOH793 4.5 44.1 1.0 CG A:GLU198 4.6 21.7 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. The Presentation of Sars-Cov-2 Peptides By the Common Hla-A*02:01 Molecule To Be Published.