Magnesium in PDB 7ach: Crystal Structure of Active Kras G12D (Gppcp) in Complex with the Soaked Dimeric Inhibitor Bi-5747

All present enzymatic activity of Crystal Structure of Active Kras G12D (Gppcp) in Complex with the Soaked Dimeric Inhibitor Bi-5747:
3.6.5.2;

The structure of Crystal Structure of Active Kras G12D (Gppcp) in Complex with the Soaked Dimeric Inhibitor Bi-5747, PDB code: 7ach was solved by D.Kessler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.26 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.018, 72.773, 54.437, 90.00, 103.57, 90.00
R / Rfree (%)	17.3 / 21.4

The binding sites of Magnesium atom in the Crystal Structure of Active Kras G12D (Gppcp) in Complex with the Soaked Dimeric Inhibitor Bi-5747 (pdb code 7ach). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Active Kras G12D (Gppcp) in Complex with the Soaked Dimeric Inhibitor Bi-5747, PDB code: 7ach:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Active Kras G12D (Gppcp) in Complex with the Soaked Dimeric Inhibitor Bi-5747


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Active Kras G12D (Gppcp) in Complex with the Soaked Dimeric Inhibitor Bi-5747 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:17.0 occ:1.00 O1G A:GCP202 1.9 19.7 1.0 O A:HOH316 2.0 13.4 1.0 OG A:SER17 2.0 20.4 1.0 O A:HOH314 2.1 11.8 1.0 OG1 A:THR35 2.1 16.5 1.0 O2B A:GCP202 2.1 12.7 1.0 CB A:THR35 3.1 18.6 1.0 CB A:SER17 3.2 16.2 1.0 PG A:GCP202 3.2 17.1 1.0 PB A:GCP202 3.3 13.1 1.0 C3B A:GCP202 3.5 11.7 1.0 N A:THR35 3.8 18.8 1.0 N A:SER17 3.9 12.3 1.0 CA A:SER17 4.1 13.4 1.0 CA A:THR35 4.1 18.1 1.0 OD2 A:ASP57 4.1 16.2 1.0 O3G A:GCP202 4.1 11.2 1.0 CG2 A:THR35 4.1 15.6 1.0 OD1 A:ASP57 4.2 11.3 1.0 O A:HOH336 4.2 29.9 1.0 O2A A:GCP202 4.2 15.0 1.0 O A:ASP33 4.3 25.8 1.0 O1B A:GCP202 4.3 8.8 1.0 O2G A:GCP202 4.4 15.5 1.0 O3A A:GCP202 4.4 13.7 1.0 O A:THR58 4.4 16.7 1.0 CG A:ASP57 4.5 12.0 1.0 PA A:GCP202 4.6 15.2 1.0 O1A A:GCP202 4.7 13.5 1.0 CB A:LYS16 4.8 13.5 1.0 C A:PRO34 4.8 23.7 1.0 CE A:LYS16 4.9 11.9 1.0 C A:LYS16 4.9 15.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Active Kras G12D (Gppcp) in Complex with the Soaked Dimeric Inhibitor Bi-5747


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Active Kras G12D (Gppcp) in Complex with the Soaked Dimeric Inhibitor Bi-5747 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:18.1 occ:1.00 O1G B:GCP201 1.9 15.6 1.0 OG B:SER17 2.1 15.9 1.0 O2B B:GCP201 2.1 13.0 1.0 OG1 B:THR35 2.1 17.2 1.0 O B:HOH303 2.1 10.8 1.0 CB B:THR35 3.1 16.0 1.0 PG B:GCP201 3.2 16.2 1.0 CB B:SER17 3.2 12.3 1.0 PB B:GCP201 3.2 13.8 1.0 C3B B:GCP201 3.5 13.4 1.0 N B:THR35 3.8 16.0 1.0 N B:SER17 3.9 10.8 1.0 O3G B:GCP201 4.1 16.0 1.0 O2A B:GCP201 4.1 15.0 1.0 CA B:SER17 4.1 10.7 1.0 CA B:THR35 4.1 15.0 1.0 OD2 B:ASP57 4.1 19.9 1.0 CG2 B:THR35 4.2 11.9 1.0 OD1 B:ASP57 4.2 16.0 1.0 O B:HOH315 4.2 27.1 1.0 O1B B:GCP201 4.3 11.7 1.0 O2G B:GCP201 4.3 13.2 1.0 O B:ASP33 4.3 21.9 1.0 O3A B:GCP201 4.3 14.2 1.0 O B:THR58 4.4 17.6 1.0 PA B:GCP201 4.5 15.3 1.0 CG B:ASP57 4.6 16.3 1.0 O1A B:GCP201 4.6 14.3 1.0 CB B:LYS16 4.7 12.2 1.0 CE B:LYS16 4.8 11.9 1.0 C B:PRO34 4.8 20.9 1.0 C B:LYS16 4.9 14.3 1.0

D.Kessler, D.Kessler. N/A N/A.