Calcium in PDB 2ygl: The X-Ray Crystal Structure of Tandem CBM51 Modules of SP3GH98, the Family 98 Glycoside Hydrolase From Streptococcus Pneumoniae SP3-BS71

The structure of The X-Ray Crystal Structure of Tandem CBM51 Modules of SP3GH98, the Family 98 Glycoside Hydrolase From Streptococcus Pneumoniae SP3-BS71, PDB code: 2ygl was solved by M.A.Higgins, E.Ficko-Blean, C.Wright, P.J.Meloncelli, T.L.Lowary, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.91 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.040, 90.580, 119.850, 90.00, 90.00, 90.00
R / Rfree (%)	20.953 / 24.671

The binding sites of Calcium atom in the The X-Ray Crystal Structure of Tandem CBM51 Modules of SP3GH98, the Family 98 Glycoside Hydrolase From Streptococcus Pneumoniae SP3-BS71 (pdb code 2ygl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The X-Ray Crystal Structure of Tandem CBM51 Modules of SP3GH98, the Family 98 Glycoside Hydrolase From Streptococcus Pneumoniae SP3-BS71, PDB code: 2ygl:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The X-Ray Crystal Structure of Tandem CBM51 Modules of SP3GH98, the Family 98 Glycoside Hydrolase From Streptococcus Pneumoniae SP3-BS71


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The X-Ray Crystal Structure of Tandem CBM51 Modules of SP3GH98, the Family 98 Glycoside Hydrolase From Streptococcus Pneumoniae SP3-BS71 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1413 b:26.4 occ:1.00 O A:VAL161 2.2 19.4 1.0 O A:HIS214 2.2 23.5 1.0 O A:HOH2124 2.3 23.6 1.0 O A:ALA211 2.3 21.9 1.0 OD2 A:ASP218 2.3 19.9 1.0 O A:HOH2121 2.4 14.6 1.0 CG A:ASP218 3.0 18.9 1.0 OD1 A:ASP218 3.0 18.4 1.0 C A:VAL161 3.3 19.5 1.0 C A:HIS214 3.4 23.4 1.0 C A:ALA211 3.4 22.1 1.0 CA A:ALA211 3.9 21.9 1.0 CA A:VAL161 4.0 19.6 1.0 N A:VAL161 4.1 19.8 1.0 N A:HIS214 4.1 23.9 1.0 CB A:VAL161 4.1 19.5 1.0 CB A:ALA211 4.2 21.9 1.0 CA A:HIS214 4.3 23.7 1.0 N A:THR215 4.3 23.1 1.0 CA A:THR215 4.4 22.7 1.0 N A:VAL162 4.4 19.3 1.0 O A:HOH2120 4.4 23.1 1.0 O A:HOH2128 4.4 17.6 1.0 CB A:ASP218 4.5 18.4 1.0 N A:GLY212 4.5 22.3 1.0 CA A:VAL162 4.6 19.3 1.0 C A:THR215 4.6 22.4 1.0 CG1 A:VAL161 4.7 19.6 1.0 O A:TRP216 4.7 20.6 1.0 CB A:HIS214 4.8 23.7 1.0 CA A:GLY212 4.8 22.9 1.0 N A:GLU213 4.8 23.7 1.0 C A:GLY212 4.9 23.2 1.0 O A:ASP158 4.9 22.9 1.0 N A:TRP216 4.9 21.9 1.0

Calcium binding site 2 out of 2 in the The X-Ray Crystal Structure of Tandem CBM51 Modules of SP3GH98, the Family 98 Glycoside Hydrolase From Streptococcus Pneumoniae SP3-BS71


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The X-Ray Crystal Structure of Tandem CBM51 Modules of SP3GH98, the Family 98 Glycoside Hydrolase From Streptococcus Pneumoniae SP3-BS71 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1412 b:22.4 occ:1.00 O B:VAL161 2.1 19.2 1.0 O B:HIS214 2.2 17.0 1.0 OD2 B:ASP218 2.2 16.9 1.0 O B:ALA211 2.3 17.3 1.0 O B:HOH2105 2.3 15.4 1.0 O B:HOH2100 2.4 16.1 1.0 CG B:ASP218 3.0 17.3 1.0 OD1 B:ASP218 3.0 16.9 1.0 C B:VAL161 3.3 19.4 1.0 C B:HIS214 3.4 17.1 1.0 C B:ALA211 3.4 17.4 1.0 N B:VAL161 3.9 20.2 1.0 CA B:VAL161 3.9 19.7 1.0 CA B:ALA211 3.9 17.4 1.0 CB B:VAL161 4.0 19.6 1.0 CB B:ALA211 4.0 17.4 1.0 N B:HIS214 4.1 17.6 1.0 CA B:HIS214 4.3 17.4 1.0 N B:THR215 4.3 16.9 1.0 CA B:THR215 4.3 16.9 1.0 N B:VAL162 4.3 19.1 1.0 O B:HOH2101 4.4 15.5 1.0 CB B:ASP218 4.4 17.0 1.0 O B:HOH2110 4.5 21.4 1.0 N B:GLY212 4.6 17.5 1.0 C B:THR215 4.6 16.8 1.0 CG1 B:VAL161 4.6 19.6 1.0 CA B:VAL162 4.7 18.8 1.0 O B:TRP216 4.7 17.1 1.0 CB B:HIS214 4.7 17.3 1.0 N B:TRP216 4.8 16.9 1.0 O B:ASP158 4.9 24.0 1.0 CA B:GLY212 4.9 17.8 1.0 N B:GLU213 4.9 18.0 1.0 C B:GLY212 4.9 17.8 1.0

M.A.Higgins, E.Ficko-Blean, C.Wright, P.J.Meloncelli, T.L.Lowary, A.B.Boraston. The Overall Architecture and Receptor Binding of Pneumococcal Carbohydrate Antigen Hydrolyzing Enzymes. J.Mol.Biol. V. 411 1017 2011.
ISSN: ISSN 0022-2836
PubMed: 21767550
DOI: 10.1016/J.JMB.2011.06.035