Magnesium in PDB 6god: Kras Full Length Wild-Type Gppnhp

The structure of Kras Full Length Wild-Type Gppnhp, PDB code: 6god was solved by A.Cruz-Migoni, C.E.Quevedo, S.B.Carr, M.T.Ehebauer, S.V.E.Phillips, T.H.Rabbitts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.11 / 1.71
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	78.760, 78.760, 77.180, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 23.1

The binding sites of Magnesium atom in the Kras Full Length Wild-Type Gppnhp (pdb code 6god). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Kras Full Length Wild-Type Gppnhp, PDB code: 6god:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Kras Full Length Wild-Type Gppnhp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Kras Full Length Wild-Type Gppnhp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:20.8 occ:1.00 O A:HOH332 1.9 22.6 1.0 O2G A:GNP202 2.0 22.7 1.0 OG1 A:THR35 2.0 23.8 1.0 OG A:SER17 2.0 19.6 1.0 O1B A:GNP202 2.1 19.3 1.0 O A:HOH326 2.2 22.2 1.0 CB A:THR35 3.1 26.7 1.0 CB A:SER17 3.1 17.6 1.0 PB A:GNP202 3.2 19.2 1.0 PG A:GNP202 3.2 22.1 1.0 N3B A:GNP202 3.4 20.0 1.0 N A:THR35 3.8 28.0 1.0 N A:SER17 3.8 18.4 1.0 CA A:SER17 4.0 17.8 1.0 O3G A:GNP202 4.0 22.1 1.0 CA A:THR35 4.1 25.6 1.0 CG2 A:THR35 4.1 28.9 1.0 OD2 A:ASP57 4.1 34.7 1.0 OD1 A:ASP57 4.1 34.9 1.0 O1A A:GNP202 4.2 23.3 1.0 O3A A:GNP202 4.3 19.0 1.0 O2B A:GNP202 4.3 18.2 1.0 O A:HOH349 4.3 42.7 1.0 O A:ASP33 4.4 32.8 1.0 O A:THR58 4.4 22.0 1.0 O1G A:GNP202 4.4 22.3 1.0 CG A:ASP57 4.5 33.7 1.0 PA A:GNP202 4.6 20.8 1.0 O2A A:GNP202 4.7 20.3 1.0 C A:PRO34 4.7 29.0 1.0 CB A:LYS16 4.8 18.4 1.0 C A:LYS16 4.9 19.3 1.0 CA A:PRO34 5.0 26.5 1.0

Magnesium binding site 2 out of 2 in the Kras Full Length Wild-Type Gppnhp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Kras Full Length Wild-Type Gppnhp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg204 b:28.3 occ:1.00 O A:HOH319 2.3 42.6 1.0 OH A:TYR96 2.4 28.7 1.0 O A:HOH341 2.4 20.3 1.0 O A:ALA59 2.4 22.7 1.0 O A:GLY60 2.5 31.1 1.0 O A:GLY10 2.5 19.9 1.0 C A:GLY60 3.1 30.2 1.0 CA A:GLY60 3.3 27.7 1.0 CZ A:TYR96 3.4 25.7 1.0 C A:ALA59 3.4 23.2 1.0 C A:GLY10 3.5 18.9 1.0 O A:HOH320 3.6 47.3 1.0 N A:GLY60 3.8 24.8 1.0 CE1 A:TYR96 3.8 27.3 1.0 N A:GLY10 4.1 16.4 1.0 OH A:TYR71 4.2 32.2 1.0 N A:GLN61 4.2 43.2 1.0 N A:ALA11 4.4 17.6 1.0 CA A:GLY10 4.4 18.5 1.0 O A:HOH337 4.4 33.9 1.0 CE2 A:TYR96 4.4 23.9 1.0 NH1 A:ARG68 4.4 67.9 1.0 OG1 A:THR58 4.5 22.3 1.0 CA A:ALA11 4.5 18.6 1.0 CE A:LYS16 4.6 19.1 1.0 CA A:ALA59 4.7 20.9 1.0 CA A:GLN61 4.8 47.7 1.0 C A:ALA11 4.8 19.6 1.0 NZ A:LYS16 4.9 18.4 1.0

A.Cruz-Migoni, P.Canning, C.E.Quevedo, C.J.R.Bataille, N.Bery, A.Miller, A.J.Russell, S.E.V.Phillips, S.B.Carr, T.H.Rabbitts. Structure-Based Development of New Ras-Effector Inhibitors From A Combination of Active and Inactive Ras-Binding Compounds. Proc. Natl. Acad. Sci. V. 116 2545 2019U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30683716
DOI: 10.1073/PNAS.1811360116