Calcium in PDB 1v0a: Family 11 Carbohydrate-Binding Module of Cellulosomal Cellulase LIC26A-CEL5E of Clostridium Thermocellum

All present enzymatic activity of Family 11 Carbohydrate-Binding Module of Cellulosomal Cellulase LIC26A-CEL5E of Clostridium Thermocellum:
3.2.1.4;

The structure of Family 11 Carbohydrate-Binding Module of Cellulosomal Cellulase LIC26A-CEL5E of Clostridium Thermocellum, PDB code: 1v0a was solved by A.L.Carvalho, M.J.Romao, A.Goyal, J.A.M.Prates, V.M.R.Pires, L.M.A.Ferreira, D.N.Bolam, H.J.Gilbert, C.M.G.A.Fontes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.00 / 1.98
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	75.143, 50.892, 40.868, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23.2

The binding sites of Calcium atom in the Family 11 Carbohydrate-Binding Module of Cellulosomal Cellulase LIC26A-CEL5E of Clostridium Thermocellum (pdb code 1v0a). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Family 11 Carbohydrate-Binding Module of Cellulosomal Cellulase LIC26A-CEL5E of Clostridium Thermocellum, PDB code: 1v0a:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Family 11 Carbohydrate-Binding Module of Cellulosomal Cellulase LIC26A-CEL5E of Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Family 11 Carbohydrate-Binding Module of Cellulosomal Cellulase LIC26A-CEL5E of Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1176 b:11.8 occ:1.00 OE1 A:GLU101 2.4 11.2 1.0 OD2 A:ASP141 2.4 13.7 1.0 O A:THR139 2.4 15.2 1.0 OG A:SER137 2.4 16.6 1.0 OE1 A:GLU91 2.5 11.9 1.0 OD2 A:ASP135 2.5 15.3 1.0 OE2 A:GLU91 2.6 11.3 1.0 OD1 A:ASP135 2.7 16.2 1.0 CD A:GLU91 2.9 12.6 1.0 CG A:ASP135 3.1 16.4 1.0 CD A:GLU101 3.5 11.6 1.0 CG A:ASP141 3.5 14.3 1.0 C A:THR139 3.6 15.6 1.0 CB A:SER137 3.6 17.3 1.0 CB A:GLU101 4.1 12.1 1.0 O A:HOH2153 4.1 25.9 1.0 N A:THR139 4.2 16.1 1.0 OE2 A:GLU101 4.2 11.7 1.0 O A:HOH2107 4.2 22.3 1.0 OG1 A:THR139 4.3 17.2 1.0 N A:ASP141 4.3 14.6 1.0 OD1 A:ASP141 4.3 13.4 1.0 CG A:GLU101 4.4 11.7 1.0 CG A:GLU91 4.4 13.0 1.0 NE1 A:TRP103 4.4 11.0 1.0 N A:SER137 4.4 17.9 1.0 CB A:ASP141 4.5 14.4 1.0 CA A:THR139 4.5 16.0 1.0 CA A:SER137 4.5 17.4 1.0 O A:HOH2108 4.5 10.3 1.0 CB A:ASP135 4.6 16.6 1.0 N A:LEU140 4.6 15.3 1.0 N A:GLY138 4.6 16.9 1.0 CA A:LEU140 4.7 15.0 1.0 C A:SER137 4.8 17.1 1.0 C A:LEU140 4.9 14.9 1.0 CB A:THR139 5.0 16.0 1.0

Calcium binding site 2 out of 2 in the Family 11 Carbohydrate-Binding Module of Cellulosomal Cellulase LIC26A-CEL5E of Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Family 11 Carbohydrate-Binding Module of Cellulosomal Cellulase LIC26A-CEL5E of Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1177 b:15.3 occ:1.00 O A:ASN40 2.3 18.2 1.0 O A:HOH2174 2.4 18.7 1.0 OE1 A:GLU14 2.4 17.1 1.0 O A:THR38 2.4 18.8 1.0 O A:ASP12 2.4 16.6 1.0 OD1 A:ASP163 2.5 14.2 1.0 OD2 A:ASP163 2.6 14.7 1.0 CG A:ASP163 3.0 14.3 1.0 CD A:GLU14 3.5 17.3 1.0 C A:ASN40 3.5 18.4 1.0 C A:ASP12 3.6 16.7 1.0 C A:THR38 3.6 18.9 1.0 N A:ASN40 3.7 18.5 1.0 CA A:ASN40 4.2 18.5 1.0 CG A:GLU14 4.2 17.4 1.0 C A:GLY39 4.2 18.6 1.0 O A:HOH2022 4.2 24.1 1.0 CA A:ASP12 4.2 16.9 1.0 OD1 A:ASN164 4.3 13.3 1.0 CB A:ASP12 4.3 16.9 1.0 OE2 A:GLU14 4.3 17.4 1.0 OG1 A:THR38 4.3 19.8 1.0 N A:THR38 4.5 19.0 1.0 CB A:ASP163 4.5 13.8 1.0 CA A:GLY39 4.5 18.6 1.0 N A:GLY39 4.5 18.7 1.0 N A:GLY41 4.6 18.4 1.0 CA A:THR38 4.6 19.0 1.0 N A:PHE13 4.7 16.7 1.0 O A:HOH2012 4.7 30.7 1.0 CB A:PHE13 4.7 16.6 1.0 O A:GLY39 4.8 18.4 1.0 CA A:GLY41 4.9 18.2 1.0 CB A:ASN40 4.9 18.7 1.0 CG A:ASN164 5.0 13.6 1.0 CB A:THR38 5.0 19.1 1.0

A.L.Carvalho, A.Goyal, J.A.M.Prates, D.N.Bolam, H.J.Gilbert, V.M.R.Pires, L.M.A.Ferreira, A.Planas, M.J.Romao, C.M.G.A.Fontes. The Family 11 Carbohydrate-Binding Module of Clostridium Thermocellum LIC26A-CEL5E Accomodates Beta-1,4- and Beta-1,3-1,4-Mixed Linked Glucans at A Single Binding Site J.Biol.Chem. V. 279 34785 2004.
ISSN: ISSN 0021-9258
PubMed: 15192099
DOI: 10.1074/JBC.M405867200