Magnesium in PDB 8tbn: Tricomplex of Rmc-7977, Kras G12S, and Cypa

All present enzymatic activity of Tricomplex of Rmc-7977, Kras G12S, and Cypa:
3.6.5.2; 5.2.1.8;

The structure of Tricomplex of Rmc-7977, Kras G12S, and Cypa, PDB code: 8tbn 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)	35.50 / 1.46
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.776, 84.343, 126.632, 90, 90, 90
R / Rfree (%)	15.3 / 19.7

The binding sites of Magnesium atom in the Tricomplex of Rmc-7977, Kras G12S, and Cypa (pdb code 8tbn). 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 G12S, and Cypa, PDB code: 8tbn:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Tricomplex of Rmc-7977, Kras G12S, 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 G12S, and Cypa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:15.5 occ:1.00 O1G A:GNP201 2.0 23.3 1.0 O2B A:GNP201 2.1 14.7 1.0 OG A:SER17 2.1 15.6 1.0 O A:HOH343 2.1 16.7 1.0 OG1 A:THR35 2.1 17.3 1.0 O A:HOH338 2.1 17.2 1.0 CB A:THR35 3.1 15.5 1.0 CB A:SER17 3.1 17.1 1.0 PG A:GNP201 3.2 18.6 1.0 PB A:GNP201 3.2 16.1 1.0 N3B A:GNP201 3.5 15.2 1.0 N A:THR35 3.8 15.8 1.0 N A:SER17 3.9 14.3 1.0 O2G A:GNP201 4.0 20.5 1.0 CA A:SER17 4.0 15.0 1.0 CA A:THR35 4.1 15.8 1.0 OD2 A:ASP57 4.1 21.2 1.0 CG2 A:THR35 4.1 17.2 1.0 O2A A:GNP201 4.1 18.1 1.0 OD1 A:ASP57 4.2 18.8 1.0 O A:HOH325 4.2 41.2 1.0 O1B A:GNP201 4.3 17.7 1.0 O3A A:GNP201 4.3 17.5 1.0 O3G A:GNP201 4.4 20.7 1.0 O A:ASP33 4.4 18.4 1.0 O A:THR58 4.5 16.6 1.0 CG A:ASP57 4.5 18.1 1.0 PA A:GNP201 4.5 16.8 1.0 O1A A:GNP201 4.7 17.6 1.0 C A:PRO34 4.7 18.4 1.0 CB A:LYS16 4.7 16.0 1.0 CE A:LYS16 4.8 20.1 1.0 CA A:PRO34 4.9 19.3 1.0 C A:LYS16 4.9 13.6 1.0

Magnesium binding site 2 out of 2 in the Tricomplex of Rmc-7977, Kras G12S, 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 G12S, and Cypa within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:22.5 occ:1.00 OG1 B:THR35 2.0 21.9 1.0 O1G B:GNP201 2.1 24.0 1.0 OG B:SER17 2.1 21.1 1.0 O B:HOH330 2.1 25.4 1.0 O2B B:GNP201 2.1 24.5 1.0 O B:HOH321 2.1 23.8 1.0 CB B:THR35 3.0 22.9 1.0 CB B:SER17 3.1 22.4 1.0 PG B:GNP201 3.3 24.3 1.0 PB B:GNP201 3.3 24.9 1.0 N3B B:GNP201 3.5 25.4 1.0 N B:THR35 3.7 20.9 1.0 N B:SER17 3.9 24.0 1.0 CA B:THR35 4.0 22.2 1.0 OD2 B:ASP57 4.0 28.8 1.0 O2G B:GNP201 4.0 25.5 1.0 CA B:SER17 4.1 22.7 1.0 CG2 B:THR35 4.1 23.4 1.0 OD1 B:ASP57 4.2 24.9 1.0 O2A B:GNP201 4.2 28.1 1.0 O B:ASP33 4.4 28.8 1.0 O1B B:GNP201 4.4 22.1 1.0 O3G B:GNP201 4.4 26.3 1.0 O3A B:GNP201 4.4 24.2 1.0 CG B:ASP57 4.4 24.5 1.0 O B:THR58 4.5 22.7 1.0 PA B:GNP201 4.6 25.1 1.0 C B:PRO34 4.7 24.1 1.0 O1A B:GNP201 4.7 26.7 1.0 CA B:PRO34 4.9 25.9 1.0 CB B:LYS16 4.9 21.9 1.0 C B:LYS16 5.0 21.6 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.