Magnesium in PDB 8tbk: Tricomplex of Rmc-7977, Kras G12C, and Cypa

All present enzymatic activity of Tricomplex of Rmc-7977, Kras G12C, and Cypa:
3.6.5.2; 5.2.1.8;

The structure of Tricomplex of Rmc-7977, Kras G12C, and Cypa, PDB code: 8tbk was solved by A.C.A.Tomlinson, A.Chen, J.E.Knox, J.K.Yano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.92 / 1.26
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.47, 83.57, 126.21, 90, 90, 90
R / Rfree (%)	14.6 / 18.4

The binding sites of Magnesium atom in the Tricomplex of Rmc-7977, Kras G12C, and Cypa (pdb code 8tbk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Tricomplex of Rmc-7977, Kras G12C, and Cypa, PDB code: 8tbk:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Tricomplex of Rmc-7977, Kras G12C, and Cypa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tricomplex of Rmc-7977, Kras G12C, and Cypa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:17.4 occ:1.00 O1G A:GNP201 2.0 18.5 1.0 OG1 A:THR35 2.0 17.6 1.0 O2B A:GNP201 2.0 16.8 1.0 O A:HOH324 2.0 17.6 1.0 OG A:SER17 2.0 17.2 1.0 O A:HOH336 2.1 18.6 1.0 CB A:THR35 3.1 17.4 1.0 CB A:SER17 3.1 17.9 1.0 PG A:GNP201 3.2 18.3 1.0 PB A:GNP201 3.2 18.4 1.0 N3B A:GNP201 3.5 18.9 1.0 N A:THR35 3.7 17.9 1.0 N A:SER17 3.8 16.2 1.0 CA A:THR35 4.0 17.8 1.0 OD2 A:ASP57 4.0 20.9 1.0 CA A:SER17 4.0 17.8 1.0 O2G A:GNP201 4.1 19.4 1.0 O2A A:GNP201 4.1 20.0 1.0 CG2 A:THR35 4.1 18.6 1.0 OD1 A:ASP57 4.2 19.4 1.0 O1B A:GNP201 4.3 16.1 1.0 O3A A:GNP201 4.3 18.4 1.0 O3G A:GNP201 4.4 19.3 1.0 O A:ASP33 4.4 19.3 1.0 O A:HOH362 4.4 36.7 1.0 O A:THR58 4.5 16.6 1.0 CG A:ASP57 4.5 19.4 1.0 PA A:GNP201 4.5 18.4 1.0 O1A A:GNP201 4.6 19.9 1.0 C A:PRO34 4.7 18.8 1.0 CB A:LYS16 4.8 16.2 1.0 C A:LYS16 4.9 15.6 1.0 CA A:PRO34 4.9 20.3 1.0 CE A:LYS16 4.9 17.8 1.0

Magnesium binding site 2 out of 2 in the Tricomplex of Rmc-7977, Kras G12C, and Cypa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Tricomplex of Rmc-7977, Kras G12C, and Cypa within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:13.5 occ:1.00 O1G B:GNP201 2.0 14.7 1.0 O2B B:GNP201 2.0 13.3 1.0 O B:HOH327 2.0 13.9 1.0 OG1 B:THR35 2.1 13.8 1.0 O B:HOH359 2.1 15.0 1.0 OG B:SER17 2.1 13.4 1.0 CB B:THR35 3.1 13.9 1.0 CB B:SER17 3.2 14.1 1.0 PB B:GNP201 3.2 13.9 1.0 PG B:GNP201 3.2 14.5 1.0 N3B B:GNP201 3.4 14.8 1.0 N B:THR35 3.7 14.1 1.0 N B:SER17 3.8 13.2 1.0 OD2 B:ASP57 4.0 17.5 1.0 CA B:THR35 4.0 13.3 1.0 CA B:SER17 4.1 12.7 1.0 O2G B:GNP201 4.1 15.6 1.0 O2A B:GNP201 4.2 14.8 1.0 CG2 B:THR35 4.2 15.7 1.0 OD1 B:ASP57 4.2 16.7 1.0 O B:HOH366 4.3 41.4 1.0 O1B B:GNP201 4.3 14.4 1.0 O3A B:GNP201 4.3 14.3 1.0 O3G B:GNP201 4.4 14.4 1.0 O B:ASP33 4.4 15.0 1.0 O B:THR58 4.4 15.6 1.0 CG B:ASP57 4.5 16.0 1.0 PA B:GNP201 4.5 14.7 1.0 O1A B:GNP201 4.6 15.1 1.0 C B:PRO34 4.7 14.6 1.0 CB B:LYS16 4.7 13.7 1.0 CE B:LYS16 4.9 15.2 1.0 C B:LYS16 4.9 13.4 1.0 CA B:PRO34 4.9 14.9 1.0

A.C.A.Tomlinson, A.Chen, J.E.Knox, J.K.Yano. Concurrent Inhibition of Oncogenic and Wild-Type Ras-Gtp For Cancer Therapy To Be Published.