Calcium in PDB 3v4f: H-Ras Peg 400/CACL2, Ordered Off

The structure of H-Ras Peg 400/CACL2, Ordered Off, PDB code: 3v4f was solved by G.Holzapfel, C.Mattos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.27 / 1.39
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	88.521, 88.521, 134.060, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 19.8

The structure of H-Ras Peg 400/CACL2, Ordered Off also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium atom in the H-Ras Peg 400/CACL2, Ordered Off (pdb code 3v4f). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the H-Ras Peg 400/CACL2, Ordered Off, PDB code: 3v4f:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the H-Ras Peg 400/CACL2, Ordered Off


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of H-Ras Peg 400/CACL2, Ordered Off within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca191 b:13.5 occ:1.00 O A:PHE28 2.3 13.6 1.0 O A:HOH309 2.4 20.0 1.0 OD1 A:ASP30 2.4 17.0 1.0 O A:HOH1474 2.5 25.0 1.0 C A:PHE28 3.6 12.3 1.0 CG A:ASP30 3.7 16.7 1.0 N A:ASP30 4.1 12.2 1.0 O A:HOH376 4.3 31.6 1.0 CA A:VAL29 4.3 12.2 1.0 N A:VAL29 4.4 11.6 1.0 CB A:ASP30 4.4 15.3 1.0 OD2 A:ASP30 4.6 19.2 1.0 CA A:PHE28 4.6 12.7 1.0 O A:HOH427 4.7 31.4 1.0 C A:VAL29 4.7 12.7 1.0 N A:PHE28 4.7 13.0 1.0 O A:HOH312 4.7 18.5 1.0 CB A:PHE28 4.8 13.4 1.0 CA A:ASP30 4.9 13.0 1.0 ND1 A:HIS27 5.0 16.6 1.0

Calcium binding site 2 out of 2 in the H-Ras Peg 400/CACL2, Ordered Off


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of H-Ras Peg 400/CACL2, Ordered Off within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca196 b:28.9 occ:0.50 O A:ARG102 2.3 27.9 1.0 OD1 A:ASP105 2.7 42.2 1.0 OD2 A:ASP105 3.1 39.4 1.0 CG A:ASP105 3.2 35.3 1.0 O A:HOH396 3.3 33.9 0.5 C A:ARG102 3.4 26.1 1.0 CG A:ARG102 4.1 32.2 0.5 CA A:ARG102 4.3 25.5 0.5 N A:VAL103 4.3 22.1 1.0 CA A:ARG102 4.3 25.5 0.5 CA A:VAL103 4.3 23.9 1.0 CG A:ARG102 4.3 32.3 0.5 O A:HOH1497 4.4 40.6 0.5 CB A:ASP105 4.5 28.7 1.0 C A:VAL103 4.6 25.1 1.0 N A:ASP105 4.6 24.4 1.0 CA A:ASP105 4.7 24.8 1.0 O A:VAL103 4.8 27.1 1.0 CB A:ARG102 4.8 28.3 0.5 CB A:ARG102 4.8 28.3 0.5

G.Holzapfel, G.Buhrman, C.Mattos. Shift in the Equilibrium Between on and Off States of the Allosteric Switch in Ras-Gppnhp Affected By Small Molecules and Bulk Solvent Composition. Biochemistry V. 51 6114 2012.
ISSN: ISSN 0006-2960
PubMed: 22845804
DOI: 10.1021/BI300509J