Calcium 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:

Cadmium

(Cd)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230, PDB code: 7kgq:
Jump to Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca 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:Ca303 b:58.8 occ:1.00 CD A:CD302 2.3 29.4 1.0 OE2 A:GLU198 3.1 24.6 1.0 O A:HOH466 3.1 28.2 1.0 CD A:GLU198 4.0 30.1 1.0 OE1 A:GLU198 4.4 23.5 1.0 NE2 A:HIS197 4.5 21.1 1.0

Calcium 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 Calcium with other atoms in the Ca 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 B:Ca101 b:35.5 occ:1.00 O B:LEU87 2.3 33.8 1.0 O B:HOH284 2.8 46.0 1.0 O B:HIS84 2.8 20.4 1.0 OD1 B:ASN83 2.8 26.6 1.0 C B:LEU87 3.5 35.2 1.0 CG B:ASN83 3.7 36.2 1.0 C B:HIS84 3.7 21.2 1.0 ND2 B:ASN83 4.0 34.1 1.0 N B:LEU87 4.2 26.9 1.0 CA B:LEU87 4.2 29.0 1.0 N B:HIS84 4.3 18.9 1.0 CA B:VAL85 4.3 20.3 1.0 O B:VAL85 4.4 26.4 1.0 N B:VAL85 4.4 19.4 1.0 C B:VAL85 4.5 26.1 1.0 CB B:LEU87 4.5 29.0 1.0 N B:SER88 4.6 35.3 1.0 CA B:HIS84 4.7 17.5 1.0 C B:SER88 4.7 38.1 1.0 CA B:SER88 4.9 35.6 1.0 O B:SER88 4.9 39.0 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.