Calcium 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:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 3 binding sites of Calcium where determined in the H-RASQ61L with Allosteric Switch in the "on" State, PDB code: 3oiu:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the H-RASQ61L with Allosteric Switch in the "on" State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca167 b:13.5 occ:1.00 O A:PHE28 2.3 12.7 1.0 O A:HOH200 2.4 19.9 1.0 OD1 A:ASP30 2.4 17.0 1.0 C A:PHE28 3.6 13.3 1.0 CG A:ASP30 3.6 15.8 1.0 N A:ASP30 4.0 12.8 1.0 O A:HOH275 4.3 28.0 1.0 CA A:VAL29 4.3 12.9 1.0 O A:HOH240 4.3 22.8 1.0 N A:VAL29 4.4 12.2 1.0 CB A:ASP30 4.4 15.8 1.0 OD2 A:ASP30 4.5 19.3 1.0 CA A:PHE28 4.6 13.1 1.0 C A:VAL29 4.6 13.3 1.0 N A:PHE28 4.7 12.5 1.0 CB A:PHE28 4.8 13.0 1.0 CA A:ASP30 4.8 14.2 1.0

Calcium binding site 2 out of 3 in the H-RASQ61L with Allosteric Switch in the "on" State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca170 b:20.9 occ:1.00 O A:TYR137 2.4 18.0 1.0 O A:ASP107 2.4 26.0 1.0 O A:HOH392 2.5 25.4 1.0 O A:ACT719 2.5 23.1 1.0 O A:HOH232 2.6 24.5 1.0 OXT A:ACT719 2.6 21.6 1.0 O A:HOH366 2.6 26.6 1.0 C A:ACT719 3.0 24.5 1.0 C A:ASP107 3.4 26.0 1.0 C A:TYR137 3.5 16.2 1.0 CA A:ASP108 4.1 25.0 1.0 N A:ASP108 4.1 23.5 1.0 CA A:TYR137 4.2 15.3 1.0 CA A:ASP107 4.3 27.9 1.0 O A:HOH299 4.4 35.2 1.0 NH2 A:ARG97 4.5 23.7 1.0 CH3 A:ACT719 4.5 23.4 1.0 CE A:MET111 4.5 22.6 1.0 CB A:TYR137 4.5 16.7 1.0 CB A:ASP107 4.6 35.7 1.0 N A:GLY138 4.6 14.2 1.0 O A:HOH197 4.6 26.5 1.0 N A:VAL109 4.6 20.8 1.0 OD1 A:ASP108 4.7 41.4 1.0 C A:ASP108 4.8 23.6 1.0 CG2 A:ILE139 4.8 15.0 1.0 O A:VAL109 4.8 18.2 1.0 CA A:GLY138 4.8 15.8 1.0 CG A:ASP107 4.9 38.3 1.0 OD2 A:ASP107 5.0 40.9 1.0

Calcium binding site 3 out of 3 in the H-RASQ61L with Allosteric Switch in the "on" State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of H-RASQ61L with Allosteric Switch in the "on" State within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca171 b:39.1 occ:1.00 O A:GLU3 2.5 23.1 1.0 OE2 A:GLU76 2.6 32.1 1.0 O A:HOH255 2.7 41.5 1.0 O A:HOH268 2.9 37.9 1.0 OE1 A:GLU76 3.0 22.7 1.0 O A:HOH276 3.0 34.9 1.0 CD A:GLU76 3.1 28.0 1.0 C A:GLU3 3.7 19.8 1.0 CA A:GLU3 4.4 21.0 1.0 N A:GLU3 4.5 19.8 1.0 CB A:GLU3 4.5 24.2 1.0 CG A:GLU76 4.6 19.3 1.0 N A:TYR4 4.6 15.9 1.0 CA A:TYR4 4.7 14.3 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