Calcium in PDB 3toc: Crystal Structure of Streptococcus Pyogenes CSN2

The structure of Crystal Structure of Streptococcus Pyogenes CSN2, PDB code: 3toc was solved by E.Bae, D.K.Jung, Y.Koo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.17 / 2.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	59.482, 163.362, 149.971, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 25.8

The binding sites of Calcium atom in the Crystal Structure of Streptococcus Pyogenes CSN2 (pdb code 3toc). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Streptococcus Pyogenes CSN2, PDB code: 3toc:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Streptococcus Pyogenes CSN2


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 Streptococcus Pyogenes CSN2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca300 b:63.2 occ:1.00 O A:GLU123 2.5 47.4 1.0 OE2 A:GLU128 2.6 51.4 1.0 O A:HOH283 2.8 62.3 1.0 OE1 A:GLU128 2.8 45.8 1.0 CD A:GLU128 3.1 48.5 1.0 OD1 A:ASP122 3.5 68.5 0.5 C A:GLU123 3.7 43.4 1.0 N A:GLU123 4.2 40.8 1.0 OD2 A:ASP122 4.3 71.2 0.5 CG A:ASP122 4.5 61.4 0.5 CG2 A:THR125 4.5 39.5 1.0 CG A:GLU123 4.5 67.8 1.0 CA A:ILE124 4.5 38.2 1.0 CA A:GLU123 4.6 41.6 1.0 CB A:ASP122 4.6 54.4 0.5 CG A:GLU128 4.6 38.7 1.0 N A:ILE124 4.6 46.3 1.0 O A:HOH258 4.6 82.5 1.0 CB A:ASP122 4.7 53.1 0.5 N A:THR125 4.8 40.5 1.0 CG A:ASP122 4.9 63.7 0.5

Calcium binding site 2 out of 3 in the Crystal Structure of Streptococcus Pyogenes CSN2


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 Streptococcus Pyogenes CSN2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:62.2 occ:1.00 OD1 A:ASP142 2.4 54.7 1.0 OE1 A:GLU150 2.4 49.1 1.0 O A:GLU138 2.5 50.1 1.0 O A:HOH251 2.8 45.0 1.0 O A:HOH308 2.8 48.7 1.0 OE1 A:GLU138 3.0 66.7 1.0 CG A:GLU138 3.3 64.7 1.0 CG A:ASP142 3.4 53.9 1.0 C A:GLU138 3.4 52.8 1.0 CD A:GLU138 3.5 70.1 1.0 CD A:GLU150 3.6 47.6 1.0 OD2 A:ASP142 3.7 57.5 1.0 OE2 A:GLU150 4.0 43.9 1.0 N A:THR139 4.2 54.1 1.0 CA A:THR139 4.2 46.4 1.0 CB A:GLU138 4.3 38.7 1.0 CA A:GLU138 4.3 46.2 1.0 OE1 A:GLU146 4.7 59.9 1.0 CB A:ASP142 4.7 50.2 1.0 OE2 A:GLU138 4.8 79.2 1.0 N A:GLU138 4.8 40.7 1.0 CG A:GLU150 4.8 42.6 1.0 OG A:SER141 4.8 66.1 1.0 O A:HOH262 4.9 47.4 1.0 CA A:ASP142 4.9 46.9 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Streptococcus Pyogenes CSN2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Streptococcus Pyogenes CSN2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca300 b:59.0 occ:1.00 O B:GLU123 2.4 39.0 1.0 OE2 B:GLU128 2.5 47.1 1.0 OD2 B:ASP122 2.6 47.1 0.6 OE1 B:GLU128 2.8 45.6 1.0 O B:HOH271 2.9 55.9 1.0 CD B:GLU128 3.0 47.0 1.0 C B:GLU123 3.6 41.1 1.0 CG B:ASP122 3.8 48.3 0.6 O B:HOH295 3.9 70.7 1.0 N B:GLU123 4.1 41.6 1.0 OD2 B:ASP122 4.1 54.2 0.4 O B:HOH276 4.4 62.5 1.0 CG B:GLU128 4.5 40.5 1.0 CA B:ILE124 4.5 35.1 1.0 N B:ILE124 4.5 37.8 1.0 CA B:GLU123 4.5 39.4 1.0 CG2 B:THR125 4.5 40.2 1.0 OD1 B:ASP122 4.5 54.6 0.6 CG B:GLU123 4.6 56.7 1.0 CB B:ASP122 4.6 44.9 0.4 N B:THR125 4.8 34.2 1.0 CB B:ASP122 4.8 44.4 0.6 CG B:ASP122 4.9 49.5 0.4

Y.Koo, D.K.Jung, E.Bae. Crystal Structure of Streptococcus Pyogenes CSN2 Reveals Calcium-Dependent Conformational Changes in Its Tertiary and Quaternary Structure Plos One V. 7 33401 2012.
ISSN: ESSN 1932-6203
PubMed: 22479393
DOI: 10.1371/JOURNAL.PONE.0033401