Magnesium in PDB 3oiv: H-RASG12V with Allosteric Switch in the "Off" State

The structure of H-RASG12V with Allosteric Switch in the "Off" State, PDB code: 3oiv was solved by G.Buhrman, C.Mattos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.40 / 1.84
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	87.883, 87.883, 133.057, 90.00, 90.00, 120.00
R / Rfree (%)	15.8 / 19.8

The structure of H-RASG12V with Allosteric Switch in the "Off" State also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Magnesium atom in the H-RASG12V with Allosteric Switch in the "Off" State (pdb code 3oiv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the H-RASG12V with Allosteric Switch in the "Off" State, PDB code: 3oiv:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the H-RASG12V with Allosteric Switch in the "Off" State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of H-RASG12V with Allosteric Switch in the "Off" State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg168 b:13.8 occ:1.00 O2G A:GNP201 2.1 12.5 1.0 O2B A:GNP201 2.1 10.6 1.0 O A:HOH173 2.1 9.4 1.0 OG A:SER17 2.2 9.3 1.0 OG1 A:THR35 2.2 11.5 1.0 O A:HOH174 2.3 11.6 1.0 CB A:THR35 3.1 14.3 1.0 CB A:SER17 3.2 9.4 1.0 PG A:GNP201 3.2 12.1 1.0 PB A:GNP201 3.2 11.0 1.0 N3B A:GNP201 3.3 11.6 1.0 N A:SER17 3.8 9.5 1.0 N A:THR35 3.9 11.5 1.0 OD2 A:ASP57 4.0 13.4 1.0 CA A:SER17 4.1 10.4 1.0 O A:HOH195 4.1 14.6 1.0 OD1 A:ASP57 4.1 11.1 1.0 CG2 A:THR35 4.1 13.6 1.0 CA A:THR35 4.1 13.9 1.0 O3G A:GNP201 4.1 13.1 1.0 O2A A:GNP201 4.2 12.6 1.0 O3A A:GNP201 4.2 8.9 1.0 O1B A:GNP201 4.2 9.4 1.0 O1G A:GNP201 4.3 11.8 1.0 O A:THR58 4.4 14.9 1.0 CG A:ASP57 4.5 13.2 1.0 PA A:GNP201 4.5 12.0 1.0 O A:ASP33 4.5 12.7 1.0 O1A A:GNP201 4.7 12.1 1.0 CB A:LYS16 4.7 9.3 1.0 CE A:LYS16 4.8 11.7 1.0 C A:LYS16 4.9 9.2 1.0 C A:PRO34 4.9 13.6 1.0 NZ A:LYS16 5.0 12.0 1.0

Magnesium binding site 2 out of 3 in the H-RASG12V with Allosteric Switch in the "Off" State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of H-RASG12V with Allosteric Switch in the "Off" State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg169 b:19.5 occ:0.50 O A:HOH178 2.2 14.7 1.0 O A:HOH182 2.2 16.1 1.0 O A:THR124 3.9 13.5 1.0 NE2 A:GLN129 4.1 22.0 1.0 O A:HOH176 4.2 14.7 1.0 OE1 A:GLN129 4.3 15.5 1.0 CD A:GLN129 4.6 21.4 1.0

Magnesium binding site 3 out of 3 in the H-RASG12V with Allosteric Switch in the "Off" State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of H-RASG12V with Allosteric Switch in the "Off" State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg170 b:32.8 occ:0.50 O A:ARG102 2.2 23.6 1.0 O A:HOH482 2.3 39.9 0.5 OD1 A:ASP105 2.4 34.2 0.5 OD2 A:ASP105 2.7 30.8 0.5 CG A:ASP105 2.8 26.6 0.5 C A:ARG102 3.4 29.1 1.0 CA A:ARG102 4.1 25.3 1.0 CB A:ASP105 4.1 29.5 0.5 CB A:ASP105 4.2 29.5 0.5 N A:VAL103 4.3 20.1 1.0 N A:ASP105 4.3 26.1 1.0 CA A:VAL103 4.4 23.1 1.0 CA A:ASP105 4.4 26.4 0.5 CA A:ASP105 4.4 26.4 0.5 C A:VAL103 4.5 25.3 1.0 OD1 A:ASP105 4.5 30.9 0.5 O A:VAL103 4.6 22.1 1.0 CB A:ARG102 4.6 25.3 1.0 O A:HOH239 4.6 38.3 0.5 CG A:ASP105 4.7 29.9 0.5 NH1 A:ARG73 4.7 33.4 1.0

G.Buhrman, V.S.Kumar, M.Cirit, J.M.Haugh, C.Mattos. Allosteric Modulation of Ras-Gtp Is Linked to Signal Transduction Through Raf Kinase. J.Biol.Chem. V. 286 3323 2011.
ISSN: ISSN 0021-9258
PubMed: 21098031
DOI: 10.1074/JBC.M110.193854