Magnesium in PDB 6uln: Molecular Basis For Tumor Infiltrating Tcr Recognition of Hotspot Kras-G12D Mutation

The structure of Molecular Basis For Tumor Infiltrating Tcr Recognition of Hotspot Kras-G12D Mutation, PDB code: 6uln was solved by P.D.Sun, M.J.W.Sim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.71 / 2.01
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.787, 74.057, 107.462, 90.00, 101.68, 90.00
R / Rfree (%)	18.5 / 21.8

The binding sites of Magnesium atom in the Molecular Basis For Tumor Infiltrating Tcr Recognition of Hotspot Kras-G12D Mutation (pdb code 6uln). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Molecular Basis For Tumor Infiltrating Tcr Recognition of Hotspot Kras-G12D Mutation, PDB code: 6uln:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Molecular Basis For Tumor Infiltrating Tcr Recognition of Hotspot Kras-G12D Mutation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Molecular Basis For Tumor Infiltrating Tcr Recognition of Hotspot Kras-G12D Mutation within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg301 b:51.6 occ:1.00 OD2 E:ASP184 2.2 39.8 1.0 O A:HOH469 2.2 53.4 1.0 O A:HOH421 2.2 30.3 1.0 O E:HOH518 2.3 38.1 1.0 O A:HOH499 2.8 53.5 1.0 CG E:ASP184 3.1 39.0 1.0 OD1 E:ASP184 3.3 35.8 1.0 OE1 A:GLU128 3.7 62.8 1.0 NE A:ARG111 4.1 52.3 1.0 OE2 A:GLU128 4.1 61.5 1.0 NH2 A:ARG111 4.2 64.5 1.0 ND2 E:ASN118 4.2 42.4 1.0 CD A:GLU128 4.2 60.7 1.0 O E:HOH546 4.4 36.7 1.0 OD1 E:ASN183 4.4 68.0 1.0 O E:HOH423 4.5 40.5 1.0 CB E:ASP184 4.5 39.2 1.0 CZ A:ARG111 4.6 54.9 1.0

Magnesium binding site 2 out of 2 in the Molecular Basis For Tumor Infiltrating Tcr Recognition of Hotspot Kras-G12D Mutation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Molecular Basis For Tumor Infiltrating Tcr Recognition of Hotspot Kras-G12D Mutation within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg302 b:62.3 occ:1.00 O E:HOH558 3.8 0.1 1.0 O E:HOH488 3.9 39.5 1.0 OE2 E:GLU218 4.4 72.1 1.0 O E:HOH559 4.5 53.8 1.0

M.Sim, J.Lu, M.Spencer, F.Hopkins, E.Tran, S.Rosenberg, E.Long, P.D.Sun. High Affinity Oligoclonal Tcrs Define Effective Adoptive T-Cell Therapy Targeting Mutant Kras-G12D Proc.Natl.Acad.Sci.Usa 2020.
ISSN: ESSN 1091-6490
DOI: 10.1073/PNAS.1921964117