Magnesium in PDB 8tbj: Tricomplex of Rmc-7977, Kras G12A, and Cypa

All present enzymatic activity of Tricomplex of Rmc-7977, Kras G12A, and Cypa:
3.6.5.2; 5.2.1.8;

The structure of Tricomplex of Rmc-7977, Kras G12A, and Cypa, PDB code: 8tbj 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)	63.61 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.45, 81.46, 127.225, 90, 90, 90
R / Rfree (%)	18.5 / 21.6

The binding sites of Magnesium atom in the Tricomplex of Rmc-7977, Kras G12A, and Cypa (pdb code 8tbj). 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 G12A, and Cypa, PDB code: 8tbj:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Tricomplex of Rmc-7977, Kras G12A, 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 G12A, 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 16.6 1.0 O2B A:GNP201 2.0 14.2 1.0 OG A:SER17 2.0 14.3 1.0 O A:HOH324 2.0 16.1 1.0 OG1 A:THR35 2.1 15.1 1.0 O A:HOH340 2.1 15.6 1.0 CB A:SER17 3.1 14.9 1.0 CB A:THR35 3.1 15.2 1.0 PB A:GNP201 3.2 16.3 1.0 PG A:GNP201 3.2 16.4 1.0 N3B A:GNP201 3.5 16.2 1.0 N A:THR35 3.8 16.8 1.0 N A:SER17 3.8 14.9 1.0 CA A:SER17 4.0 13.4 1.0 O A:HOH305 4.0 36.0 1.0 OD2 A:ASP57 4.1 17.7 1.0 CA A:THR35 4.1 16.5 1.0 O2G A:GNP201 4.1 17.9 1.0 O2A A:GNP201 4.2 17.9 1.0 CG2 A:THR35 4.2 17.9 1.0 OD1 A:ASP57 4.2 17.5 1.0 O1B A:GNP201 4.2 15.7 1.0 O3A A:GNP201 4.4 15.8 1.0 O3G A:GNP201 4.4 17.9 1.0 O A:THR58 4.4 16.6 1.0 O A:ASP33 4.4 17.8 1.0 CG A:ASP57 4.5 16.2 1.0 PA A:GNP201 4.6 15.9 1.0 O1A A:GNP201 4.7 16.8 1.0 C A:PRO34 4.7 18.1 1.0 CB A:LYS16 4.8 14.0 1.0 CA A:PRO34 4.9 18.1 1.0 C A:LYS16 4.9 13.7 1.0 CE A:LYS16 4.9 16.2 1.0

Magnesium binding site 2 out of 2 in the Tricomplex of Rmc-7977, Kras G12A, 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 G12A, and Cypa within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:14.0 occ:1.00 O1G B:GNP201 2.0 14.8 1.0 O2B B:GNP201 2.0 14.8 1.0 O B:HOH346 2.0 16.0 1.0 OG1 B:THR35 2.1 18.9 1.0 O B:HOH352 2.1 14.8 1.0 OG B:SER17 2.1 17.4 1.0 CB B:THR35 3.1 18.0 1.0 CB B:SER17 3.1 17.3 1.0 PG B:GNP201 3.2 15.7 1.0 PB B:GNP201 3.2 13.5 1.0 N3B B:GNP201 3.4 15.6 1.0 N B:THR35 3.7 17.6 1.0 N B:SER17 3.8 17.7 1.0 O B:HOH342 4.0 43.9 1.0 CA B:THR35 4.0 19.9 1.0 O2G B:GNP201 4.1 16.4 1.0 O2A B:GNP201 4.1 16.8 1.0 CA B:SER17 4.1 16.9 1.0 OD2 B:ASP57 4.1 20.1 1.0 CG2 B:THR35 4.2 20.9 1.0 O3A B:GNP201 4.3 15.3 1.0 OD1 B:ASP57 4.3 17.5 1.0 O1B B:GNP201 4.3 14.1 1.0 O3G B:GNP201 4.3 16.8 1.0 O B:ASP33 4.4 19.2 1.0 PA B:GNP201 4.5 15.5 1.0 CG B:ASP57 4.5 16.8 1.0 O B:THR58 4.6 18.4 1.0 O1A B:GNP201 4.7 14.4 1.0 C B:PRO34 4.7 19.5 1.0 CB B:LYS16 4.7 17.1 1.0 CA B:PRO34 4.9 19.7 1.0 C B:LYS16 4.9 15.8 1.0 NZ B:LYS16 5.0 18.3 1.0

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