Magnesium in PDB 4tq9: Crystal Structure of A Gdp-Bound G12V Oncogenic Mutant of Human Gtpase Kras

The structure of Crystal Structure of A Gdp-Bound G12V Oncogenic Mutant of Human Gtpase Kras, PDB code: 4tq9 was solved by J.C.Hunter, A.Manandhar, 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)	37.05 / 1.49
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	65.320, 41.427, 115.119, 90.00, 105.09, 90.00
R / Rfree (%)	16.4 / 19.4

The binding sites of Magnesium atom in the Crystal Structure of A Gdp-Bound G12V Oncogenic Mutant of Human Gtpase Kras (pdb code 4tq9). 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 A Gdp-Bound G12V Oncogenic Mutant of Human Gtpase Kras, PDB code: 4tq9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Gdp-Bound G12V 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 G12V Oncogenic Mutant of Human Gtpase Kras within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:12.8 occ:1.00 O A:HOH406 2.0 12.3 1.0 O A:HOH408 2.1 12.5 1.0 O2B A:GDP201 2.1 11.2 1.0 OG A:SER17 2.1 11.6 1.0 O A:HOH311 2.1 12.9 1.0 O A:HOH407 2.2 12.6 1.0 HB2 A:SER17 3.1 13.2 1.0 CB A:SER17 3.2 11.0 1.0 PB A:GDP201 3.3 12.3 1.0 H A:SER17 3.3 13.9 1.0 HA A:PRO34 3.4 15.9 1.0 HD2 A:TYR32 3.5 21.3 1.0 O1B A:GDP201 3.5 13.1 1.0 HB3 A:SER17 3.8 13.2 1.0 N A:SER17 3.9 11.6 1.0 HB2 A:LYS16 3.9 14.1 1.0 HE2 A:TYR32 4.0 21.2 1.0 CA A:SER17 4.1 9.9 1.0 OD2 A:ASP57 4.1 13.3 1.0 O1A A:GDP201 4.1 15.1 1.0 HE2 A:LYS16 4.2 15.1 1.0 OD1 A:ASP57 4.2 13.5 1.0 O A:PRO34 4.2 13.4 1.0 CD2 A:TYR32 4.3 17.8 1.0 CA A:PRO34 4.3 13.3 1.0 O A:ASP33 4.3 15.8 1.0 O3B A:GDP201 4.3 11.8 1.0 O3A A:GDP201 4.4 12.6 1.0 HA A:SER17 4.4 11.9 1.0 O A:ILE36 4.4 13.6 1.0 CG A:ASP57 4.5 12.2 1.0 CE2 A:TYR32 4.6 17.7 1.0 C A:PRO34 4.6 13.1 1.0 O A:THR58 4.6 12.7 1.0 PA A:GDP201 4.6 13.6 1.0 HB1 A:ALA59 4.6 17.6 1.0 HZ3 A:LYS16 4.7 16.0 1.0 O2A A:GDP201 4.7 13.4 1.0 HZ2 A:LYS16 4.8 16.0 1.0 HA A:ALA59 4.8 14.9 1.0 CB A:LYS16 4.8 11.8 1.0 O A:HOH321 5.0 16.7 1.0 C A:LYS16 5.0 10.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Gdp-Bound G12V 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 2 of Crystal Structure of A Gdp-Bound G12V Oncogenic Mutant of Human Gtpase Kras within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:13.0 occ:1.00 O B:HOH397 2.1 13.0 1.0 O B:HOH401 2.1 14.0 1.0 O B:HOH318 2.1 13.7 1.0 O2B B:GDP201 2.1 11.1 1.0 OG B:SER17 2.1 11.9 1.0 O B:HOH399 2.1 13.2 1.0 HB2 B:SER17 3.1 15.1 1.0 CB B:SER17 3.2 12.6 1.0 PB B:GDP201 3.3 12.6 1.0 H B:SER17 3.3 14.2 1.0 HA B:PRO34 3.4 18.0 1.0 HD2 B:TYR32 3.4 27.6 1.0 O1B B:GDP201 3.5 12.9 1.0 HB3 B:SER17 3.9 15.1 1.0 N B:SER17 3.9 11.8 1.0 HE2 B:TYR32 3.9 29.8 1.0 HB2 B:LYS16 4.0 13.8 1.0 OD2 B:ASP57 4.1 14.7 1.0 CA B:SER17 4.1 11.7 1.0 O1A B:GDP201 4.1 14.9 1.0 HE2 B:LYS16 4.1 14.2 1.0 CD2 B:TYR32 4.2 23.0 1.0 O B:PRO34 4.2 14.4 1.0 OD1 B:ASP57 4.2 14.2 1.0 CA B:PRO34 4.3 15.0 1.0 O B:ASP33 4.3 14.7 1.0 O3B B:GDP201 4.4 12.1 1.0 O3A B:GDP201 4.4 12.6 1.0 HA B:SER17 4.4 14.0 1.0 O B:ILE36 4.4 12.9 1.0 CE2 B:TYR32 4.5 24.8 1.0 C B:PRO34 4.6 14.8 1.0 CG B:ASP57 4.6 13.4 1.0 O B:THR58 4.6 12.6 1.0 PA B:GDP201 4.6 14.3 1.0 HB2 B:ALA59 4.6 18.5 1.0 HZ2 B:LYS16 4.7 16.2 1.0 O2A B:GDP201 4.8 14.3 1.0 HZ1 B:LYS16 4.9 16.2 1.0 HA B:ALA59 4.9 16.2 1.0 O B:TYR32 4.9 17.3 1.0 CB B:LYS16 4.9 11.5 1.0 C B:ASP33 5.0 15.2 1.0

J.C.Hunter, A.Manandhar, M.A.Carrasco, D.Gurbani, S.Gondi, K.D.Westover. Biochemical and Structural Analysis of Common Cancer-Associated Kras Mutations. Mol Cancer Res. V. 13 1325 2015.
ISSN: ESSN 1557-3125
PubMed: 26037647
DOI: 10.1158/1541-7786.MCR-15-0203