Magnesium in PDB 7s8r: Crystal Structure of Hla A*1101 in Complex with Salewiknk, An 9-Mer Epitope From Influenza B

The structure of Crystal Structure of Hla A*1101 in Complex with Salewiknk, An 9-Mer Epitope From Influenza B, PDB code: 7s8r was solved by A.T.Nguyen, C.Szeto, S.Gras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.43 / 2.95
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.33, 120.41, 122.33, 90, 90, 90
R / Rfree (%)	22.6 / 27.8

The binding sites of Magnesium atom in the Crystal Structure of Hla A*1101 in Complex with Salewiknk, An 9-Mer Epitope From Influenza B (pdb code 7s8r). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Hla A*1101 in Complex with Salewiknk, An 9-Mer Epitope From Influenza B, PDB code: 7s8r:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Hla A*1101 in Complex with Salewiknk, An 9-Mer Epitope From Influenza B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Hla A*1101 in Complex with Salewiknk, An 9-Mer Epitope From Influenza B within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:3.0 occ:1.00 O B:SER57 3.4 6.8 1.0 CE A:MET98 3.5 15.4 1.0 C B:SER57 3.8 8.2 1.0 N B:LYS58 4.2 5.9 1.0 CA B:LYS58 4.2 6.3 1.0 CE2 A:PHE8 4.2 27.7 1.0 CG A:MET98 4.4 15.9 1.0 CD1 B:PHE56 4.6 14.0 1.0 CA B:SER57 4.7 5.9 1.0 CE1 B:PHE56 4.7 15.1 1.0 CB A:MET98 4.8 13.1 1.0 SD A:MET98 4.8 18.8 1.0 O B:PHE56 4.9 9.2 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Hla A*1101 in Complex with Salewiknk, An 9-Mer Epitope From Influenza B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Hla A*1101 in Complex with Salewiknk, An 9-Mer Epitope From Influenza B within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg301 b:3.0 occ:1.00 NH2 D:ARG21 3.6 45.2 1.0 NH1 D:ARG21 3.7 47.2 1.0 CZ D:ARG21 4.1 57.5 1.0 NE2 E:HIS51 4.2 26.1 1.0 CE1 E:HIS51 4.4 25.7 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Hla A*1101 in Complex with Salewiknk, An 9-Mer Epitope From Influenza B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Hla A*1101 in Complex with Salewiknk, An 9-Mer Epitope From Influenza B within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg302 b:8.0 occ:1.00 NZ D:LYS243 3.5 28.1 1.0 N D:THR233 4.0 14.5 1.0 OG1 D:THR233 4.1 21.7 1.0 CA D:GLU232 4.2 18.8 1.0 CG D:GLU232 4.6 29.1 1.0 C D:GLU232 4.6 20.6 1.0 CB D:THR233 4.8 19.7 1.0 CB D:GLU232 4.9 20.3 1.0 O D:VAL231 4.9 22.0 1.0 CE D:LYS243 4.9 20.9 1.0

J.R.Habel, A.T.Nguyen, L.C.Rowntree, C.Szeto, N.A.Mifsud, E.B.Clemens, L.Loh, W.Chen, S.Rockman, J.Nelson, J.Davies, A.Miller, S.Y.C.Tong, J.Rossjohn, S.Gras, A.W.Purcell, L.Hensen, K.Kedzierska, P.T.Illing. Hla-A*11:01-Restricted CD8+ T Cell Immunity Against Influenza A and Influenza B Viruses in Indigenous and Non-Indigenous People. Plos Pathog. V. 18 10337 2022.
ISSN: ESSN 1553-7374
PubMed: 35255101
DOI: 10.1371/JOURNAL.PPAT.1010337