Magnesium in PDB 3oiu: H-RASQ61L with Allosteric Switch in the "on" State

The structure of H-RASQ61L with Allosteric Switch in the "on" State, PDB code: 3oiu 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)	30.89 / 1.32
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	87.985, 87.985, 135.146, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 19.2

The structure of H-RASQ61L with Allosteric Switch in the "on" State also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Magnesium atom in the H-RASQ61L with Allosteric Switch in the "on" State (pdb code 3oiu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the H-RASQ61L with Allosteric Switch in the "on" State, PDB code: 3oiu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the H-RASQ61L with Allosteric Switch in the "on" State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of H-RASQ61L with Allosteric Switch in the "on" State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg168 b:12.1 occ:1.00 O2G A:GNP201 2.0 12.6 1.0 O2B A:GNP201 2.1 11.3 1.0 OG1 A:THR35 2.1 13.6 1.0 OG A:SER17 2.1 13.4 1.0 O A:HOH172 2.1 13.6 1.0 O A:HOH173 2.1 12.7 1.0 CB A:THR35 3.1 12.7 1.0 CB A:SER17 3.2 12.8 1.0 PG A:GNP201 3.2 11.9 1.0 PB A:GNP201 3.2 10.7 1.0 N3B A:GNP201 3.3 12.6 1.0 N A:THR35 3.8 13.3 1.0 N A:SER17 3.9 11.2 1.0 O3G A:GNP201 4.0 14.4 1.0 OD2 A:ASP57 4.1 16.2 1.0 CA A:THR35 4.1 14.2 1.0 O2A A:GNP201 4.1 12.6 1.0 CA A:SER17 4.1 11.6 1.0 O A:HOH195 4.2 17.6 1.0 CG2 A:THR35 4.2 15.6 1.0 O3A A:GNP201 4.2 11.1 1.0 OD1 A:ASP57 4.2 16.1 1.0 O1B A:GNP201 4.3 11.1 1.0 O1G A:GNP201 4.4 13.6 1.0 O A:ASP33 4.4 12.9 1.0 PA A:GNP201 4.5 11.4 1.0 O A:THR58 4.5 14.6 1.0 CG A:ASP57 4.5 15.2 1.0 O1A A:GNP201 4.7 12.1 1.0 C A:PRO34 4.7 14.7 1.0 CB A:LYS16 4.8 10.6 1.0 CA A:PRO34 5.0 13.7 1.0 C A:LYS16 5.0 11.1 1.0

Magnesium binding site 2 out of 2 in the H-RASQ61L with Allosteric Switch in the "on" State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of H-RASQ61L with Allosteric Switch in the "on" State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg169 b:12.1 occ:0.50 O A:HOH182 2.1 13.7 1.0 O A:HOH178 2.1 12.6 1.0 O A:THR124 4.0 13.3 1.0 NE2 A:GLN129 4.0 20.4 1.0 O A:HOH473 4.2 15.3 1.0 OE1 A:GLN129 4.3 16.4 1.0 CD A:GLN129 4.6 17.4 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