Magnesium in PDB 4ldj: Crystal Structure of A Gdp-Bound G12C Oncogenic Mutant of Human Gtpase Kras

The structure of Crystal Structure of A Gdp-Bound G12C Oncogenic Mutant of Human Gtpase Kras, PDB code: 4ldj was solved by J.C.Hunter, D.Gurbani, Z.Chen, K.D.Westover, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.70 / 1.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.071, 40.724, 91.431, 90.00, 90.00, 90.00
R / Rfree (%)	13.2 / 16.2

The binding sites of Magnesium atom in the Crystal Structure of A Gdp-Bound G12C Oncogenic Mutant of Human Gtpase Kras (pdb code 4ldj). 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 A Gdp-Bound G12C Oncogenic Mutant of Human Gtpase Kras, PDB code: 4ldj:

Magnesium binding site 1 out of 1 in the Crystal Structure of A Gdp-Bound G12C Oncogenic Mutant of Human Gtpase Kras


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 A Gdp-Bound G12C Oncogenic Mutant of Human Gtpase Kras within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:6.6 occ:1.00 O1B A:GDP201 2.0 7.8 1.0 O A:HOH548 2.1 9.1 1.0 O A:HOH550 2.1 9.5 1.0 O A:HOH549 2.1 9.5 1.0 OG A:SER17 2.1 8.2 1.0 O A:HOH547 2.1 9.3 1.0 HB2 A:SER17 3.2 8.9 1.0 CB A:SER17 3.2 8.9 1.0 PB A:GDP201 3.3 8.1 1.0 H A:SER17 3.4 7.9 1.0 HA A:PRO34 3.4 11.3 1.0 HD2 A:TYR32 3.5 14.7 1.0 O3B A:GDP201 3.5 8.3 1.0 HB3 A:SER17 3.9 8.9 1.0 N A:SER17 3.9 7.9 1.0 HB2 A:LYS16 4.0 8.0 1.0 CA A:SER17 4.1 8.0 1.0 OD2 A:ASP57 4.1 9.9 1.0 O2A A:GDP201 4.1 9.4 1.0 HE2 A:LYS16 4.2 9.8 1.0 HE2 A:TYR32 4.2 20.4 1.0 OD1 A:ASP57 4.2 9.5 1.0 O A:PRO34 4.3 10.9 1.0 O A:ASP33 4.3 10.9 1.0 CD2 A:TYR32 4.3 14.7 1.0 O3A A:GDP201 4.3 8.5 1.0 CA A:PRO34 4.4 11.3 1.0 O2B A:GDP201 4.4 7.7 1.0 HA A:SER17 4.4 8.0 1.0 O A:ILE36 4.4 10.4 1.0 HB2 A:ALA59 4.4 11.2 1.0 CG A:ASP57 4.6 9.8 1.0 PA A:GDP201 4.6 8.5 1.0 C A:PRO34 4.6 10.6 1.0 O A:THR58 4.6 8.4 1.0 HZ3 A:LYS16 4.6 8.9 1.0 CE2 A:TYR32 4.7 20.4 1.0 O1A A:GDP201 4.7 9.6 1.0 HZ1 A:LYS16 4.8 8.9 1.0 HA A:ALA59 4.9 10.0 1.0 O A:TYR32 4.9 13.1 1.0 CB A:LYS16 4.9 8.0 1.0 HB3 A:TYR32 4.9 14.4 1.0 O A:HOH314 4.9 12.5 1.0

J.C.Hunter, D.Gurbani, S.B.Ficarro, M.A.Carrasco, S.M.Lim, H.G.Choi, T.Xie, J.A.Marto, Z.Chen, N.S.Gray, K.D.Westover. In Situ Selectivity Profiling and Crystal Structure of Sml-8-73-1, An Active Site Inhibitor of Oncogenic K-Ras G12C. Proc.Natl.Acad.Sci.Usa V. 111 8895 2014.
ISSN: ISSN 0027-8424
PubMed: 24889603
DOI: 10.1073/PNAS.1404639111