Calcium in PDB 2wqs: Crystal Structure of the C-Terminal Domain of Streptococcus Gordonii Surface Protein Sspb

The structure of Crystal Structure of the C-Terminal Domain of Streptococcus Gordonii Surface Protein Sspb, PDB code: 2wqs was solved by N.Forsgren, K.Persson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.623 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.198, 61.011, 74.040, 90.00, 100.09, 90.00
R / Rfree (%)	18.57 / 22.83

The structure of Crystal Structure of the C-Terminal Domain of Streptococcus Gordonii Surface Protein Sspb also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Crystal Structure of the C-Terminal Domain of Streptococcus Gordonii Surface Protein Sspb (pdb code 2wqs). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the C-Terminal Domain of Streptococcus Gordonii Surface Protein Sspb, PDB code: 2wqs:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the C-Terminal Domain of Streptococcus Gordonii Surface Protein Sspb


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the C-Terminal Domain of Streptococcus Gordonii Surface Protein Sspb within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2414 b:10.0 occ:1.00 OD1 A:ASP1133 2.3 8.6 1.0 O A:LYS1186 2.3 12.2 1.0 O A:TYR1134 2.4 9.6 1.0 O A:ALA1188 2.4 11.7 1.0 OE1 A:GLU1136 2.4 13.8 1.0 O A:HOH2077 2.5 16.3 1.0 C A:ALA1188 3.5 11.3 1.0 C A:TYR1134 3.5 10.4 1.0 C A:LYS1186 3.5 14.0 1.0 CG A:ASP1133 3.6 12.7 1.0 CD A:GLU1136 3.6 17.5 1.0 N A:ALA1188 3.6 12.0 1.0 N A:TYR1134 3.8 9.1 1.0 C A:GLY1187 4.0 12.2 1.0 OE2 A:GLU1136 4.0 17.4 1.0 C A:ASP1133 4.0 8.7 1.0 CA A:ALA1188 4.1 14.2 1.0 OD2 A:ASP1133 4.2 11.9 1.0 CA A:TYR1134 4.3 10.0 1.0 N A:GLU1136 4.4 12.6 1.0 O A:HOH2076 4.4 15.3 1.0 CA A:GLY1187 4.4 13.4 1.0 CA A:ASP1133 4.4 7.4 1.0 N A:GLY1187 4.4 14.0 1.0 N A:PRO1135 4.5 9.9 1.0 CA A:LYS1186 4.5 13.3 1.0 O A:ASP1133 4.5 9.1 1.0 O A:HOH2079 4.5 28.3 1.0 CA A:PRO1135 4.5 12.2 1.0 CB A:LYS1186 4.6 17.7 1.0 O A:GLY1187 4.6 13.7 1.0 N A:LYS1186 4.6 11.7 1.0 CB A:ASP1133 4.6 10.5 1.0 N A:PHE1189 4.6 10.9 1.0 CB A:ALA1188 4.7 13.7 1.0 CG A:GLU1136 4.8 15.0 1.0 CB A:GLU1136 4.9 11.9 1.0 CA A:PHE1189 5.0 10.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the C-Terminal Domain of Streptococcus Gordonii Surface Protein Sspb


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the C-Terminal Domain of Streptococcus Gordonii Surface Protein Sspb within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2415 b:17.1 occ:1.00 OD1 A:ASP1308 2.2 11.6 1.0 O A:TYR1309 2.4 9.7 1.0 O A:ASN1354 2.4 17.9 1.0 OE1 A:GLN1311 2.4 19.5 1.0 O A:GLY1355 2.7 11.8 1.0 O A:HOH2210 2.8 22.6 1.0 CG A:ASP1308 3.4 14.7 1.0 CD A:GLN1311 3.5 20.4 1.0 C A:GLY1355 3.5 13.2 1.0 C A:TYR1309 3.5 13.6 1.0 C A:ASN1354 3.5 17.9 1.0 N A:TYR1309 3.7 10.9 1.0 CA A:GLY1355 3.7 20.0 1.0 C A:ASP1308 3.8 9.6 1.0 NE2 A:GLN1311 3.9 22.5 1.0 N A:GLY1355 4.1 16.4 1.0 OD2 A:ASP1308 4.1 16.2 1.0 O A:HOH2204 4.1 22.1 1.0 CA A:ASP1308 4.2 11.5 1.0 CA A:TYR1309 4.3 9.8 1.0 O A:ASP1308 4.3 10.8 1.0 O A:HOH2205 4.3 19.3 1.0 CB A:ASP1308 4.4 13.4 1.0 N A:GLN1311 4.4 10.0 1.0 CG1 A:ILE1356 4.5 15.0 1.0 N A:ASP1310 4.5 9.7 1.0 CA A:ASP1310 4.6 10.8 1.0 N A:ILE1356 4.6 14.0 1.0 CA A:ASN1354 4.7 20.5 1.0 CG A:GLN1311 4.8 22.7 1.0 CB A:GLN1311 5.0 16.4 1.0

N.Forsgren, R.J.Lamont, K.Persson. Two Intramolecular Isopeptide Bonds Are Identified in the Crystal Structure of the Streptococcus Gordonii Sspb C-Terminal Domain. J.Mol.Biol. V. 397 740 2010.
ISSN: ISSN 0022-2836
PubMed: 20138058
DOI: 10.1016/J.JMB.2010.01.065