Calcium in PDB 2cn3: Crystal Structures of Clostridium Thermocellum Xyloglucanase

All present enzymatic activity of Crystal Structures of Clostridium Thermocellum Xyloglucanase:
3.2.1.151;

The structure of Crystal Structures of Clostridium Thermocellum Xyloglucanase, PDB code: 2cn3 was solved by C.Martinez-Fleites, E.J.Taylor, C.I.P.D.Guerreiro, J.A.M.Prates, L.M.A.Ferreira, C.M.G.A.Fontes, M.J.Baumann, H.Brumer, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 1.95
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	141.440, 141.440, 193.393, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 20.4

The binding sites of Calcium atom in the Crystal Structures of Clostridium Thermocellum Xyloglucanase (pdb code 2cn3). 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 Structures of Clostridium Thermocellum Xyloglucanase, PDB code: 2cn3:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structures of Clostridium Thermocellum Xyloglucanase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structures of Clostridium Thermocellum Xyloglucanase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1778 b:12.8 occ:1.00 O A:HOH2112 2.3 8.8 1.0 OE2 A:GLU416 2.4 16.1 1.0 O A:ILE55 2.5 10.0 1.0 O A:HOH2321 2.5 12.9 1.0 OD1 A:ASP414 2.5 11.2 1.0 OD2 A:ASP414 2.5 10.9 1.0 O A:HOH2323 2.5 15.4 1.0 CG A:ASP414 2.8 10.5 1.0 CD A:GLU416 3.4 16.4 1.0 C A:ILE55 3.6 10.5 1.0 CG A:GLU416 4.0 14.4 1.0 N A:ILE55 4.0 9.2 1.0 OE1 A:GLU416 4.3 18.6 1.0 CB A:ASP414 4.3 10.3 1.0 O A:HOH2322 4.4 10.0 1.0 CA A:ILE55 4.4 10.1 1.0 O A:HOH2107 4.5 8.0 1.0 O A:HOH2324 4.5 14.8 1.0 CG2 A:VAL56 4.6 11.9 1.0 N A:VAL56 4.6 11.0 1.0 OE2 A:GLU162 4.7 11.2 1.0 O A:HOH2266 4.7 32.4 1.0 CE1 A:HIS275 4.7 15.6 1.0 CA A:VAL56 4.7 12.0 1.0 CA A:GLY54 4.9 8.9 1.0 C A:GLY54 4.9 9.4 1.0 O A:HOH2036 4.9 18.0 1.0 CB A:ILE55 5.0 9.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structures of Clostridium Thermocellum Xyloglucanase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structures of Clostridium Thermocellum Xyloglucanase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1777 b:12.6 occ:1.00 OE2 B:GLU416 2.3 13.9 1.0 O B:HOH2125 2.4 7.7 1.0 O B:ILE55 2.4 7.7 1.0 O B:HOH2021 2.5 10.9 1.0 OD2 B:ASP414 2.5 9.1 1.0 OD1 B:ASP414 2.6 9.4 1.0 O B:HOH2247 2.6 12.7 1.0 CG B:ASP414 2.9 9.6 1.0 CD B:GLU416 3.3 13.6 1.0 C B:ILE55 3.6 8.2 1.0 CG B:GLU416 3.9 12.3 1.0 N B:ILE55 4.0 7.8 1.0 OE1 B:GLU416 4.3 16.4 1.0 O B:HOH2345 4.4 11.1 1.0 CA B:ILE55 4.4 8.1 1.0 CB B:ASP414 4.4 9.2 1.0 O B:HOH2344 4.5 10.4 1.0 O B:HOH2020 4.6 10.0 1.0 N B:VAL56 4.6 8.7 1.0 OE2 B:GLU162 4.6 10.8 1.0 O B:HOH2291 4.6 34.4 1.0 CG2 B:VAL56 4.6 9.6 1.0 O B:HOH2292 4.6 25.8 1.0 CA B:VAL56 4.7 9.2 1.0 CE1 B:HIS275 4.8 12.6 1.0 CA B:GLY54 4.9 8.3 1.0 C B:GLY54 4.9 8.0 1.0 CB B:ILE55 5.0 7.8 1.0 O B:HOH2022 5.0 18.9 1.0

C.Martinez-Fleites, E.J.Taylor, C.I.P.D.Guerreiro, J.A.M.Prates, L.M.A.Ferreira, C.M.G.A.Fontes, M.J.Baumann, H.Brumer, G.J.Davies. Crystal Structures of Clostridium Thermocellum Xyloglucanase, XGH74A, Reveal the Structural Basis For Xyloglucan Recognition and Degradation J.Biol.Chem. V. 281 24922 2006.
ISSN: ISSN 0021-9258
PubMed: 16772298
DOI: 10.1074/JBC.M603583200