Magnesium in PDB 8tbh: Tricomplex of Rmc-7977, Kras G12R, and Cypa

All present enzymatic activity of Tricomplex of Rmc-7977, Kras G12R, and Cypa:
3.6.5.2; 5.2.1.8;

The structure of Tricomplex of Rmc-7977, Kras G12R, and Cypa, PDB code: 8tbh was solved by T.Bar Ziv, D.Zhang, A.C.A.Tomlinson, 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)	63.77 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.418, 85.673, 127.534, 90, 90, 90
R / Rfree (%)	19.6 / 22.5

The binding sites of Magnesium atom in the Tricomplex of Rmc-7977, Kras G12R, and Cypa (pdb code 8tbh). 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 G12R, and Cypa, PDB code: 8tbh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Tricomplex of Rmc-7977, Kras G12R, 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 G12R, and Cypa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:19.1 occ:1.00 O1G A:GNP201 2.0 19.6 1.0 O A:HOH352 2.0 20.7 1.0 OG1 A:THR35 2.0 18.7 1.0 O A:HOH331 2.1 19.6 1.0 O2B A:GNP201 2.1 22.3 1.0 OG A:SER17 2.1 20.3 1.0 CB A:THR35 3.0 15.7 1.0 CB A:SER17 3.2 18.7 1.0 PG A:GNP201 3.2 19.6 1.0 PB A:GNP201 3.3 20.7 1.0 N3B A:GNP201 3.4 19.3 1.0 N A:THR35 3.7 19.2 1.0 N A:SER17 3.9 16.3 1.0 CA A:THR35 4.0 19.0 1.0 OD2 A:ASP57 4.0 23.0 1.0 O2G A:GNP201 4.0 23.0 1.0 CA A:SER17 4.1 19.0 1.0 O2A A:GNP201 4.2 21.6 1.0 CG2 A:THR35 4.2 17.7 1.0 OD1 A:ASP57 4.2 21.1 1.0 O A:HOH321 4.3 30.5 1.0 O1B A:GNP201 4.3 20.1 1.0 O3G A:GNP201 4.4 21.1 1.0 O3A A:GNP201 4.4 21.4 1.0 O A:ASP33 4.5 23.4 1.0 O A:THR58 4.5 20.1 1.0 CG A:ASP57 4.5 29.7 1.0 PA A:GNP201 4.6 22.4 1.0 C A:PRO34 4.7 20.5 1.0 O1A A:GNP201 4.7 21.7 1.0 CB A:LYS16 4.8 17.3 1.0 CE A:LYS16 4.9 19.8 1.0 C A:LYS16 4.9 17.6 1.0 CA A:PRO34 4.9 20.6 1.0

Magnesium binding site 2 out of 2 in the Tricomplex of Rmc-7977, Kras G12R, 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 G12R, and Cypa within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:32.9 occ:1.00 O2B B:GNP201 2.0 38.0 1.0 O1G B:GNP201 2.0 36.1 1.0 OG B:SER17 2.1 31.4 1.0 O B:HOH313 2.1 26.2 1.0 OG1 B:THR35 2.1 32.5 1.0 O B:HOH332 2.2 33.7 1.0 CB B:SER17 3.0 35.7 1.0 CB B:THR35 3.1 29.8 1.0 PB B:GNP201 3.2 39.5 1.0 PG B:GNP201 3.3 35.8 1.0 N3B B:GNP201 3.5 37.7 1.0 N B:SER17 3.7 30.5 1.0 N B:THR35 3.8 32.6 1.0 CA B:SER17 3.9 32.7 1.0 OD2 B:ASP57 4.1 33.0 1.0 OD1 B:ASP57 4.1 31.6 1.0 CA B:THR35 4.1 30.1 1.0 O2G B:GNP201 4.1 36.6 1.0 O2A B:GNP201 4.1 45.0 1.0 O1B B:GNP201 4.1 38.5 1.0 O B:HOH328 4.2 44.2 1.0 CG2 B:THR35 4.2 29.6 1.0 O3G B:GNP201 4.3 37.0 1.0 O3A B:GNP201 4.3 41.5 1.0 O B:THR58 4.5 30.0 1.0 CG B:ASP57 4.5 32.0 1.0 O B:ASP33 4.5 39.9 1.0 PA B:GNP201 4.5 43.5 1.0 CB B:LYS16 4.7 32.6 1.0 O1A B:GNP201 4.7 42.2 1.0 CE B:LYS16 4.7 29.6 1.0 C B:LYS16 4.8 31.8 1.0 C B:PRO34 4.9 35.9 1.0 NZ B:LYS16 4.9 32.4 1.0

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