Calcium in PDB 3oiw: H-RASG12V with Allosteric Switch in the "on" State

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

Resolution Low / High (Å)	26.61 / 1.30
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	88.519, 88.519, 134.385, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 21

The structure of H-RASG12V 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-RASG12V with Allosteric Switch in the "on" State (pdb code 3oiw). 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-RASG12V with Allosteric Switch in the "on" State, PDB code: 3oiw:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the H-RASG12V 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-RASG12V with Allosteric Switch in the "on" State within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca167 b:16.0 occ:1.00 O A:PHE28 2.4 15.6 1.0 OD2 A:ASP30 2.5 20.6 1.0 O A:HOH200 2.5 21.6 1.0 C A:PHE28 3.6 16.4 1.0 CG A:ASP30 3.7 19.3 1.0 N A:ASP30 4.1 14.9 1.0 CA A:VAL29 4.4 15.3 1.0 O A:HOH275 4.4 29.3 1.0 O A:HOH240 4.4 22.1 1.0 N A:VAL29 4.4 13.6 1.0 CB A:ASP30 4.5 19.9 1.0 CA A:PHE28 4.6 13.9 1.0 OD1 A:ASP30 4.6 22.9 1.0 N A:PHE28 4.7 13.7 1.0 C A:VAL29 4.7 16.1 1.0 CB A:PHE28 4.8 15.6 1.0 ND1 A:HIS27 4.9 17.8 1.0 CA A:ASP30 5.0 16.1 1.0

Calcium binding site 2 out of 3 in the H-RASG12V 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-RASG12V with Allosteric Switch in the "on" State within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca168 b:22.8 occ:1.00 O A:TYR137 2.4 19.5 1.0 O A:ASP107 2.4 27.3 1.0 O A:HOH232 2.6 25.3 1.0 O A:HOH392 2.6 25.3 1.0 O A:ACT719 2.6 24.7 1.0 OXT A:ACT719 2.6 24.4 1.0 O A:HOH366 2.7 28.3 1.0 C A:ACT719 3.0 24.1 1.0 C A:ASP107 3.4 26.5 1.0 C A:TYR137 3.5 15.1 1.0 CA A:ASP108 4.0 28.6 1.0 N A:ASP108 4.2 24.7 1.0 CA A:TYR137 4.2 15.4 1.0 OD1 A:ASP107 4.3 41.2 1.0 CA A:ASP107 4.4 28.6 1.0 CG A:ASP107 4.5 36.7 1.0 CE A:MET111 4.5 22.9 1.0 NH2 A:ARG97 4.5 25.8 1.0 CB A:TYR137 4.5 15.1 1.0 O A:HOH197 4.5 28.8 1.0 CH3 A:ACT719 4.5 25.5 1.0 N A:GLY138 4.6 13.0 1.0 CG2 A:ILE139 4.7 14.3 1.0 N A:VAL109 4.8 22.0 1.0 OD2 A:ASP107 4.8 43.1 1.0 CA A:GLY138 4.8 14.7 1.0 C A:ASP108 4.8 30.9 1.0 O A:VAL109 4.9 17.5 1.0 CB A:ASP107 4.9 35.7 1.0

Calcium binding site 3 out of 3 in the H-RASG12V 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-RASG12V with Allosteric Switch in the "on" State within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca171 b:27.0 occ:0.50 O A:HOH369 2.7 27.2 1.0 O A:HOH239 2.8 35.9 0.5 O A:VAL103 3.5 29.4 1.0 CA A:VAL103 3.6 26.6 1.0 C A:VAL103 4.0 25.9 1.0 O A:ARG102 4.1 26.1 1.0 CG1 A:VAL103 4.3 20.5 1.0 CB A:VAL103 4.3 16.0 1.0 N A:VAL103 4.4 25.9 1.0 CG2 A:VAL103 4.5 25.8 1.0 C A:ARG102 4.6 26.9 1.0 NH2 A:ARG73 4.8 34.5 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