Magnesium in PDB 6zl5: Crystal Structure of Kras-G12D(C118S) in Complex with Bi-2852 and Gdp

The structure of Crystal Structure of Kras-G12D(C118S) in Complex with Bi-2852 and Gdp, PDB code: 6zl5 was solved by D.Kessler, G.Fischer, J.Boettcher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.49 / 1.65
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	83.802, 83.802, 87.416, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 20.9

The binding sites of Magnesium atom in the Crystal Structure of Kras-G12D(C118S) in Complex with Bi-2852 and Gdp (pdb code 6zl5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Kras-G12D(C118S) in Complex with Bi-2852 and Gdp, PDB code: 6zl5:

Magnesium binding site 1 out of 1 in the Crystal Structure of Kras-G12D(C118S) in Complex with Bi-2852 and Gdp


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 Kras-G12D(C118S) in Complex with Bi-2852 and Gdp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:21.4 occ:1.00 O3B A:GDP202 1.9 13.8 1.0 OG A:SER17 2.1 15.4 1.0 O A:HOH333 2.1 17.1 1.0 O A:HOH406 2.2 20.4 1.0 O A:HOH307 2.2 16.0 1.0 O A:HOH315 2.2 17.9 1.0 CB A:SER17 3.1 13.1 1.0 PB A:GDP202 3.2 14.4 1.0 O1B A:GDP202 3.4 14.7 1.0 N A:SER17 3.8 11.1 1.0 O1A A:GDP202 4.0 15.5 1.0 OD2 A:ASP57 4.0 22.4 1.0 CA A:SER17 4.0 11.6 1.0 O A:HOH449 4.0 32.4 1.0 O A:HOH460 4.1 34.3 1.0 OD1 A:ASP57 4.2 20.6 1.0 O3A A:GDP202 4.2 14.7 1.0 O2B A:GDP202 4.3 14.0 1.0 O2A A:GDP202 4.5 15.4 1.0 PA A:GDP202 4.5 15.3 1.0 CG A:ASP57 4.5 20.0 1.0 O A:HOH301 4.5 27.3 1.0 O A:THR58 4.5 21.6 1.0 CB A:LYS16 4.9 10.4 1.0 O A:HOH347 4.9 24.2 1.0 CE A:LYS16 4.9 15.8 1.0 C A:LYS16 4.9 10.5 1.0 NZ A:LYS16 5.0 16.7 1.0

D.Kessler, A.Bergner, J.Bottcher, G.Fischer, S.Dobel, M.Hinkel, B.Mullauer, A.Weiss-Puxbaum, D.B.Mcconnell. Drugging All Ras Isoforms with One Pocket. Future Med Chem V. 12 1911 2020.
ISSN: ISSN 1756-8927
PubMed: 32779487
DOI: 10.4155/FMC-2020-0221