Magnesium in PDB 6ms9: Gdp-Bound Kras Switch 1 Mutant

The structure of Gdp-Bound Kras Switch 1 Mutant, PDB code: 6ms9 was solved by A.K.Bera, K.D.Westover, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.69 / 1.49
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.821, 84.397, 88.167, 90.00, 110.48, 90.00
R / Rfree (%)	19.5 / 23.2

The binding sites of Magnesium atom in the Gdp-Bound Kras Switch 1 Mutant (pdb code 6ms9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Gdp-Bound Kras Switch 1 Mutant, PDB code: 6ms9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Gdp-Bound Kras Switch 1 Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Gdp-Bound Kras Switch 1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg202 b:31.8 occ:1.00 O C:HOH350 1.9 30.6 1.0 O C:HOH409 1.9 33.9 1.0 OG C:SER17 2.1 26.3 1.0 O1B C:GDP201 2.2 17.7 1.0 HB2 C:SER17 2.9 25.6 1.0 CB C:SER17 3.1 21.2 1.0 OD2 C:ASP57 3.3 61.0 1.0 PB C:GDP201 3.3 16.0 1.0 H C:SER17 3.4 18.8 1.0 O3B C:GDP201 3.6 17.6 1.0 HB3 C:SER17 3.7 25.6 1.0 HOA2 C:GDP201 3.7 27.6 1.0 HOB3 C:GDP201 3.7 21.2 1.0 O C:HOH355 3.8 35.4 1.0 O2A C:GDP201 4.0 22.9 1.0 N C:SER17 4.0 15.6 1.0 CA C:SER17 4.1 15.7 1.0 O C:HOH437 4.2 41.5 1.0 O3A C:GDP201 4.2 17.6 1.0 HB2 C:LYS16 4.3 14.6 1.0 PA C:GDP201 4.4 17.0 1.0 HA C:SER17 4.5 18.9 1.0 CG C:ASP57 4.5 64.9 1.0 O1A C:GDP201 4.6 21.0 1.0 O2B C:GDP201 4.6 14.3 1.0 HZ2 C:LYS16 4.6 18.2 1.0 O C:HOH361 4.7 26.9 1.0 HOB2 C:GDP201 4.7 36.1 1.0 HE2 C:LYS16 4.7 16.7 1.0 O C:HOH323 4.9 33.7 1.0

Magnesium binding site 2 out of 2 in the Gdp-Bound Kras Switch 1 Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Gdp-Bound Kras Switch 1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:26.6 occ:1.00 O B:HOH358 1.9 21.9 1.0 O B:HOH389 2.0 29.1 1.0 O B:HOH309 2.2 24.6 1.0 OG B:SER17 2.2 18.0 0.7 O1B B:GDP201 2.3 12.9 1.0 O B:HOH330 2.3 27.9 1.0 HB2 B:SER17 2.5 16.8 0.3 HB2 B:SER17 3.2 18.7 0.7 HB3 B:SER17 3.3 16.8 0.3 CB B:SER17 3.3 15.6 0.7 CB B:SER17 3.3 13.9 0.3 PB B:GDP201 3.4 13.1 1.0 H B:SER17 3.5 12.1 0.7 H B:SER17 3.5 12.1 0.3 HOA2 B:GDP201 3.5 16.8 1.0 O3B B:GDP201 3.5 13.7 1.0 HOB3 B:GDP201 3.5 16.5 1.0 OD2 B:ASP57 3.9 46.4 1.0 HB3 B:SER17 3.9 18.7 0.7 N B:SER17 4.1 10.1 1.0 O2A B:GDP201 4.1 13.9 1.0 OG B:SER17 4.2 14.7 0.3 OD1 B:ASP57 4.2 41.9 1.0 CA B:SER17 4.3 13.0 0.7 O B:HOH426 4.3 38.1 1.0 CA B:SER17 4.3 12.0 0.3 HB2 B:LYS16 4.3 13.7 1.0 HZ2 B:LYS16 4.4 16.2 1.0 O3A B:GDP201 4.4 11.5 1.0 HA B:ALA59 4.5 56.1 0.9 CG B:ASP57 4.5 50.4 1.0 O B:THR58 4.5 58.3 1.0 HG B:SER17 4.5 17.7 0.3 HA B:SER17 4.6 15.7 0.7 HA B:SER17 4.6 14.5 0.3 O2B B:GDP201 4.6 14.0 1.0 HE2 B:LYS16 4.6 14.6 1.0 PA B:GDP201 4.6 12.8 1.0 HB2 B:ALA59 4.6 41.6 0.9 O B:HOH321 4.6 26.6 1.0 HOB2 B:GDP201 4.6 24.8 1.0 O1A B:GDP201 4.7 13.9 1.0 O B:HOH350 4.8 23.4 1.0

A.K.Bera, K.D.Westover. Gdp-Bound Kras Switch 1 Mutant To Be Published.