Magnesium in PDB 7su9: Kras-G12D Specific TCR9A in Complex with C*05-Gadgvgksl

The structure of Kras-G12D Specific TCR9A in Complex with C*05-Gadgvgksl, PDB code: 7su9 was solved by M.J.W.Sim, P.D.Sun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.87 / 1.99
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.716, 74.177, 107.389, 90, 101.3, 90
R / Rfree (%)	18.1 / 21.4

The binding sites of Magnesium atom in the Kras-G12D Specific TCR9A in Complex with C*05-Gadgvgksl (pdb code 7su9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Kras-G12D Specific TCR9A in Complex with C*05-Gadgvgksl, PDB code: 7su9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Kras-G12D Specific TCR9A in Complex with C*05-Gadgvgksl


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Kras-G12D Specific TCR9A in Complex with C*05-Gadgvgksl within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg301 b:52.0 occ:1.00 O D:HOH507 2.0 47.2 1.0 O D:HOH499 2.1 46.2 1.0 O D:HOH516 2.2 54.1 1.0 O D:HOH426 2.2 38.7 1.0 O D:HOH427 2.7 47.8 1.0 OD1 D:ASP166 3.9 37.8 1.0 OD2 D:ASP166 4.1 36.5 1.0 O D:HOH496 4.4 44.9 1.0 CG D:ASP166 4.4 34.2 1.0 CE D:LYS173 4.5 43.6 1.0 OD1 D:ASP171 4.6 60.1 1.0 NZ D:LYS173 4.6 43.7 1.0 CG D:ARG168 4.8 50.1 1.0 CA D:ASP171 4.8 39.7 1.0 O D:ARG168 4.9 37.4 1.0 CA D:ARG168 5.0 39.6 1.0

Magnesium binding site 2 out of 2 in the Kras-G12D Specific TCR9A in Complex with C*05-Gadgvgksl


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Kras-G12D Specific TCR9A in Complex with C*05-Gadgvgksl within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg304 b:51.9 occ:1.00 OD2 E:ASP188 2.2 36.6 1.0 O E:HOH555 2.3 34.7 1.0 O A:HOH403 2.3 32.8 1.0 O A:HOH494 2.4 41.2 1.0 CG E:ASP188 3.1 42.1 1.0 OD1 E:ASP188 3.5 36.2 1.0 O E:HOH523 3.8 40.9 1.0 OE2 A:GLU128 3.8 48.4 1.0 NE A:ARG111 3.9 51.9 1.0 ND2 E:ASN122 4.2 39.6 1.0 OD1 E:ASN187 4.3 51.1 1.0 CD A:GLU128 4.4 57.0 1.0 NH2 A:ARG111 4.4 53.6 1.0 OE1 A:GLU128 4.4 55.2 1.0 O E:HOH571 4.5 35.1 1.0 CB E:ASP188 4.5 38.1 1.0 O E:HOH452 4.5 34.9 1.0 CZ A:ARG111 4.6 51.0 1.0 CD A:ARG111 4.8 44.2 1.0

M.J.W.Sim, Z.Stotz, J.Lu, P.Brennan, E.O.Long, P.D.Sun. T Cells Discriminate Between Groups C1 and C2 Hla-C. Elife V. 11 2022.
ISSN: ESSN 2050-084X
PubMed: 35587797
DOI: 10.7554/ELIFE.75670