Cadmium in PDB 7kgt: Crystal Structure of Hla-A*0201 in Complex with Sars-Cov-2 N226-234

The structure of Crystal Structure of Hla-A*0201 in Complex with Sars-Cov-2 N226-234, PDB code: 7kgt 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)	45.57 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.287, 79.684, 111.117, 90, 90, 90
R / Rfree (%)	16.9 / 20.5

The structure of Crystal Structure of Hla-A*0201 in Complex with Sars-Cov-2 N226-234 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Cadmium atom in the Crystal Structure of Hla-A*0201 in Complex with Sars-Cov-2 N226-234 (pdb code 7kgt). 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 N226-234, PDB code: 7kgt:
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 N226-234


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 N226-234 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd301 b:18.6 occ:1.00 ND1 A:HIS191 2.3 15.8 1.0 O A:HOH502 2.4 17.7 1.0 O A:HIS191 2.5 15.3 1.0 C A:HIS191 3.2 14.9 1.0 CG A:HIS191 3.3 20.2 1.0 CE1 A:HIS191 3.3 23.6 1.0 CB A:HIS191 3.5 19.6 1.0 CA A:HIS191 4.0 13.1 1.0 N A:HIS192 4.1 15.2 1.0 O A:HOH572 4.2 22.1 1.0 CA A:HIS192 4.3 17.1 1.0 OG A:SER278 4.4 77.4 1.0 NE2 A:HIS191 4.4 20.8 1.0 CD2 A:HIS191 4.4 20.7 1.0 N A:HIS191 4.6 14.9 1.0 N A:ALA193 4.6 15.9 1.0 C A:HIS192 5.0 17.4 1.0

Cadmium binding site 2 out of 2 in the Crystal Structure of Hla-A*0201 in Complex with Sars-Cov-2 N226-234


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 N226-234 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd302 b:55.2 occ:1.00 NE2 A:HIS197 2.5 44.8 1.0 OE1 A:GLU198 2.9 47.6 1.0 CE1 A:HIS197 3.4 42.5 1.0 CD2 A:HIS197 3.4 38.0 1.0 CD A:GLU198 3.7 42.2 1.0 OE2 A:GLU198 3.8 47.4 1.0 ND1 A:HIS197 4.5 43.3 1.0 CG A:HIS197 4.6 38.7 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 N226-234 To Be Published.