Calcium in PDB 2wnx: 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum

The structure of 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum, PDB code: 2wnx was solved by S.Petkun, S.Jindou, L.J.W.Shimon, E.A.Bayer, R.Lamed, F.Frolow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.31
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.129, 74.129, 82.501, 90.00, 90.00, 90.00
R / Rfree (%)	11.951 / 15.439

The binding sites of Calcium atom in the 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum (pdb code 2wnx). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum, PDB code: 2wnx:

Calcium binding site 1 out of 1 in the 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1163 b:16.4 occ:1.00 O A:ASP125 2.4 17.8 1.0 OD1 A:ASP128 2.4 17.8 1.0 O A:THR55 2.4 16.2 1.0 OD1 A:ASP129 2.4 15.6 1.0 OD2 A:ASP57 2.5 18.4 1.0 OG1 A:THR55 2.5 15.4 1.0 O A:HOH2271 2.5 16.6 1.0 OD1 A:ASP57 2.6 19.6 1.0 CG A:ASP57 2.9 18.5 1.0 C A:THR55 3.4 14.8 1.0 CG A:ASP129 3.5 14.3 1.0 CG A:ASP128 3.5 17.2 1.0 C A:ASP125 3.5 17.1 1.0 CB A:THR55 3.6 15.5 1.0 OD2 A:ASP129 3.8 14.4 1.0 CA A:THR55 3.8 14.8 1.0 N A:THR55 4.0 14.7 1.0 OD2 A:ASP128 4.0 20.8 1.0 N A:ASP125 4.2 17.8 1.0 CA A:ASP125 4.3 18.0 1.0 CB A:ASP57 4.3 18.6 1.0 C A:ASP128 4.4 15.6 1.0 O A:ASP128 4.4 16.0 1.0 N A:GLN126 4.5 15.7 1.0 CA A:GLN126 4.5 15.3 1.0 N A:SER56 4.5 16.1 1.0 O A:HOH2158 4.6 28.3 1.0 N A:ASP129 4.6 14.6 1.0 CB A:ASP125 4.6 18.2 1.0 CB A:ASP128 4.6 17.1 1.0 N A:ASP57 4.7 18.2 1.0 O A:HOH2159 4.7 18.8 1.0 CB A:ASP129 4.7 14.1 1.0 N A:ASP128 4.8 15.6 1.0 CA A:ASP128 4.8 16.2 1.0 CG2 A:THR55 4.9 16.8 1.0 C A:GLN126 4.9 15.0 1.0 CA A:ASP129 4.9 14.3 1.0

S.Petkun, S.Jindou, L.J.W.Shimon, E.A.Bayer, R.Lamed, F.Frolow. Structure of A Family 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum: Structural Diversity and Implications For Carbohydrate Binding Acta Crystallogr.,Sect.D V. 66 33 2010.
ISSN: ISSN 0907-4449
PubMed: 20057047
DOI: 10.1107/S0907444909043030