Magnesium in PDB 8rhq: Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984)

The structure of Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984), PDB code: 8rhq was solved by Y.M.Ahn, J.C.Maddumage, C.Szeto, S.Gras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.75 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	85.492, 85.492, 312.028, 90, 90, 120
R / Rfree (%)	19.8 / 24.4

The structure of Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984) also contains other interesting chemical elements:

Sodium	(Na)	3 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Magnesium atom in the Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984) (pdb code 8rhq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984), PDB code: 8rhq:

Magnesium binding site 1 out of 1 in the Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984)


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*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg104 b:29.1 occ:1.00 O D:LEU87 2.1 28.6 1.0 O D:HIS84 2.3 23.0 1.0 OD1 D:ASN83 2.5 27.9 1.0 O D:HOH214 2.5 29.8 1.0 C D:LEU87 3.3 26.1 1.0 C D:HIS84 3.3 30.9 1.0 CG D:ASN83 3.3 31.5 1.0 ND2 D:ASN83 3.7 31.8 1.0 N D:HIS84 3.7 26.6 1.0 N D:LEU87 3.9 28.5 1.0 CA D:LEU87 3.9 29.0 1.0 CB D:LEU87 4.0 21.6 1.0 N D:VAL85 4.1 24.3 1.0 O D:HOH217 4.1 32.4 1.0 CA D:VAL85 4.1 25.1 1.0 CA D:HIS84 4.2 21.7 1.0 C D:VAL85 4.2 24.5 1.0 O D:VAL85 4.3 22.0 1.0 N D:SER88 4.4 27.7 1.0 O D:SER88 4.4 28.6 1.0 C D:SER88 4.4 27.5 1.0 CB D:ASN83 4.6 26.6 1.0 CA D:SER88 4.6 27.1 0.6 CA D:SER88 4.6 27.1 0.4 C D:ASN83 4.7 28.8 1.0 N D:GLN89 4.8 33.2 1.0 N D:THR86 4.9 22.0 1.0 CA D:ASN83 4.9 27.8 1.0

Y.M.Ahn, J.C.Maddumage, E.J.Grant, D.S.Chatzileontiadou, W.G.Perera, B.M.Baker, C.Szeto, S.Gras. The Impact of Sars-Cov-2 Spike Mutation on Peptide Presentation Is Hla Allomorph-Specific Curr Res Struct Biol 2024.
ISSN: ESSN 2665-928X
DOI: 10.1016/J.CRSTBI.2024.100148