Magnesium in PDB 9o0s: Crystal Structure of Kras-Q61R Mutant, Gmppnp-Bound

All present enzymatic activity of Crystal Structure of Kras-Q61R Mutant, Gmppnp-Bound:
3.6.5.2;

The structure of Crystal Structure of Kras-Q61R Mutant, Gmppnp-Bound, PDB code: 9o0s was solved by A.H.Chan, D.Davies, J.Abendroth, D.K.Simanshu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.78 / 1.89
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	69.75, 69.75, 92.72, 90, 90, 120
R / Rfree (%)	19.8 / 22.9

The binding sites of Magnesium atom in the Crystal Structure of Kras-Q61R Mutant, Gmppnp-Bound (pdb code 9o0s). 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-Q61R Mutant, Gmppnp-Bound, PDB code: 9o0s:

Magnesium binding site 1 out of 1 in the Crystal Structure of Kras-Q61R Mutant, Gmppnp-Bound


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-Q61R Mutant, Gmppnp-Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:29.6 occ:1.00 O1G A:GNP201 1.8 32.2 1.0 O2B A:GNP201 1.9 28.3 1.0 O A:HOH317 2.0 29.9 1.0 OG1 A:THR35 2.0 36.2 1.0 OG A:SER17 2.2 32.9 1.0 O A:HOH306 2.2 28.5 1.0 CB A:THR35 3.1 34.2 1.0 PB A:GNP201 3.1 29.1 1.0 CB A:SER17 3.1 30.1 1.0 PG A:GNP201 3.2 32.1 1.0 N3B A:GNP201 3.3 21.4 1.0 N A:THR35 3.7 33.2 1.0 N A:SER17 3.8 27.5 1.0 O A:HOH320 3.9 35.7 1.0 OD2 A:ASP57 4.0 35.7 1.0 O2A A:GNP201 4.0 26.6 1.0 CA A:THR35 4.0 36.0 1.0 O2G A:GNP201 4.0 27.9 1.0 CA A:SER17 4.0 29.6 1.0 CG2 A:THR35 4.2 37.1 1.0 O3A A:GNP201 4.2 21.4 1.0 O1B A:GNP201 4.2 27.3 1.0 O3G A:GNP201 4.3 31.1 1.0 OD1 A:ASP57 4.3 32.6 1.0 O A:THR58 4.4 33.1 1.0 PA A:GNP201 4.4 24.9 1.0 O1A A:GNP201 4.5 24.8 1.0 CG A:ASP57 4.5 30.8 1.0 O A:ASP33 4.6 39.5 1.0 C A:PRO34 4.7 36.6 1.0 CB A:LYS16 4.8 25.0 1.0 C A:LYS16 4.9 25.6 1.0 CE A:LYS16 4.9 28.1 1.0 NZ A:LYS16 4.9 25.5 1.0 CA A:PRO34 5.0 36.5 1.0

P.Alexander, A.H.Chan, D.Rabara, M.Swain, E.K.Larsen, M.Dyba, O.Chertov, M.Ashraf, A.Champagne, K.Lin, A.Maciag, W.K.Gillette, D.V.Nissley, F.Mccormick, D.K.Simanshu, A.G.Stephen. Biophysical and Structural Analysis of Kras Switch-II Pocket Inhibitors Reveals Allele-Specific Binding Constraints. J.Biol.Chem. 10331 2025.
ISSN: ESSN 1083-351X
PubMed: 40473215
DOI: 10.1016/J.JBC.2025.110331