Calcium in PDB 3rs3: H-Ras Soaked in Neat Hexane: 1 of 10 in Mscs Set

The structure of H-Ras Soaked in Neat Hexane: 1 of 10 in Mscs Set, PDB code: 3rs3 was solved by C.Mattos, G.Buhrman, B.Kearney, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.83 / 1.52
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	88.328, 88.328, 135.128, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 20.7

The structure of H-Ras Soaked in Neat Hexane: 1 of 10 in Mscs Set also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the H-Ras Soaked in Neat Hexane: 1 of 10 in Mscs Set (pdb code 3rs3). 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-Ras Soaked in Neat Hexane: 1 of 10 in Mscs Set, PDB code: 3rs3:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the H-Ras Soaked in Neat Hexane: 1 of 10 in Mscs Set


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of H-Ras Soaked in Neat Hexane: 1 of 10 in Mscs Set within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca193 b:15.6 occ:1.00 O A:PHE28 2.4 15.0 1.0 O A:HOH309 2.4 22.1 1.0 OD2 A:ASP30 2.5 18.7 1.0 C A:PHE28 3.6 14.4 1.0 CG A:ASP30 3.7 18.7 1.0 N A:ASP30 4.0 13.4 1.0 CA A:VAL29 4.4 12.6 1.0 N A:VAL29 4.4 13.0 1.0 CB A:ASP30 4.5 17.9 1.0 CA A:PHE28 4.6 15.5 1.0 OD1 A:ASP30 4.6 23.4 1.0 O A:HOH312 4.7 20.6 1.0 C A:VAL29 4.7 15.8 1.0 N A:PHE28 4.7 14.7 1.0 CB A:PHE28 4.8 14.7 1.0 CA A:ASP30 4.9 14.8 1.0 ND1 A:HIS27 5.0 19.3 1.0

Calcium binding site 2 out of 3 in the H-Ras Soaked in Neat Hexane: 1 of 10 in Mscs Set


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of H-Ras Soaked in Neat Hexane: 1 of 10 in Mscs Set within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca195 b:20.0 occ:0.53 O A:ARG102 2.4 23.7 1.0 OD2 A:ASP105 2.8 27.1 1.0 OD1 A:ASP105 3.1 43.3 1.0 CG A:ASP105 3.3 30.1 1.0 C A:ARG102 3.5 21.2 1.0 CA A:CA196 3.9 25.4 0.5 CA A:VAL103 4.2 16.4 1.0 N A:VAL103 4.3 18.6 1.0 CA A:ARG102 4.3 19.1 1.0 C A:VAL103 4.6 21.5 1.0 CB A:ASP105 4.6 25.8 1.0 O A:VAL103 4.6 23.3 1.0 CB A:ARG102 4.7 20.4 1.0 N A:ASP105 4.8 21.6 1.0 CA A:ASP105 4.9 21.1 1.0

Calcium binding site 3 out of 3 in the H-Ras Soaked in Neat Hexane: 1 of 10 in Mscs Set


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of H-Ras Soaked in Neat Hexane: 1 of 10 in Mscs Set within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca196 b:25.4 occ:0.48 OD2 A:ASP105 2.5 27.1 1.0 O A:VAL103 2.6 23.3 1.0 C A:VAL103 3.5 21.5 1.0 NH1 A:ARG73 3.7 38.6 1.0 CG A:ASP105 3.8 30.1 1.0 CA A:CA195 3.9 20.0 0.5 CA A:VAL103 4.2 16.4 1.0 O A:HOH496 4.2 33.2 1.0 O A:ARG102 4.4 23.7 1.0 CB A:ASP105 4.5 25.8 1.0 N A:LYS104 4.5 17.3 1.0 C A:LYS104 4.6 20.6 1.0 N A:ASP105 4.6 21.6 1.0 CA A:LYS104 4.7 18.6 1.0 OD1 A:ASP105 4.7 43.3 1.0 CD A:ARG73 4.9 44.4 1.0 CG A:ARG73 5.0 39.0 1.0 O A:LYS104 5.0 23.7 1.0 CZ A:ARG73 5.0 41.9 1.0

G.Buhrman, C.O Connor, B.Zerbe, B.M.Kearney, R.Napoleon, E.A.Kovrigina, S.Vajda, D.Kozakov, E.L.Kovrigin, C.Mattos. Analysis of Binding Site Hot Spots on the Surface of Ras Gtpase. J.Mol.Biol. V. 413 773 2011.
ISSN: ISSN 0022-2836
PubMed: 21945529
DOI: 10.1016/J.JMB.2011.09.011