Calcium in PDB 6r31: Family 11 Carbohydrate-Binding Module From Clostridium Thermocellum in Complex with Beta-1,3-1,4-Mixed-Linked Tetrasaccharide

All present enzymatic activity of Family 11 Carbohydrate-Binding Module From Clostridium Thermocellum in Complex with Beta-1,3-1,4-Mixed-Linked Tetrasaccharide:
3.2.1.4;

The structure of Family 11 Carbohydrate-Binding Module From Clostridium Thermocellum in Complex with Beta-1,3-1,4-Mixed-Linked Tetrasaccharide, PDB code: 6r31 was solved by D.O.Ribeiro, A.L.Carvalho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.83 / 2.60
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	104.910, 104.910, 39.511, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 25.4

The binding sites of Calcium atom in the Family 11 Carbohydrate-Binding Module From Clostridium Thermocellum in Complex with Beta-1,3-1,4-Mixed-Linked Tetrasaccharide (pdb code 6r31). 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 From Clostridium Thermocellum in Complex with Beta-1,3-1,4-Mixed-Linked Tetrasaccharide, PDB code: 6r31:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Family 11 Carbohydrate-Binding Module From Clostridium Thermocellum in Complex with Beta-1,3-1,4-Mixed-Linked Tetrasaccharide


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 From Clostridium Thermocellum in Complex with Beta-1,3-1,4-Mixed-Linked Tetrasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca207 b:27.5 occ:1.00 OE2 A:GLU14 2.2 18.7 1.0 O A:THR38 2.2 18.5 1.0 O A:ASP12 2.4 17.2 1.0 OD1 A:ASP163 2.6 18.9 1.0 O A:ASN40 2.6 20.1 1.0 OD2 A:ASP163 3.0 19.7 1.0 CG A:ASP163 3.2 19.0 1.0 CD A:GLU14 3.4 19.0 1.0 C A:THR38 3.5 19.2 1.0 C A:ASP12 3.5 17.5 1.0 N A:ASN40 3.7 19.3 1.0 C A:ASN40 3.7 18.8 1.0 OD1 A:ASN164 3.8 22.6 1.0 CG A:GLU14 4.1 17.9 1.0 CA A:ASP12 4.2 17.8 1.0 C A:GLY39 4.2 19.2 1.0 CB A:ASP12 4.2 18.0 1.0 CA A:ASN40 4.3 18.7 1.0 N A:GLY39 4.4 18.5 1.0 CA A:GLY39 4.4 18.6 1.0 OE1 A:GLU14 4.4 19.3 1.0 OG1 A:THR38 4.4 22.0 1.0 CA A:THR38 4.4 20.3 1.0 CG A:ASN164 4.4 20.8 1.0 N A:THR38 4.4 20.1 1.0 ND2 A:ASN164 4.5 20.4 1.0 N A:PHE13 4.6 17.2 1.0 CB A:ASP163 4.6 18.3 1.0 N A:GLY41 4.7 17.8 1.0 CB A:PHE13 4.8 17.8 1.0 C A:PHE13 4.8 17.4 1.0 O A:GLY39 4.9 19.4 1.0 O A:PHE13 4.9 16.7 1.0 CB A:THR38 4.9 20.8 1.0 CA A:PHE13 5.0 17.7 1.0

Calcium binding site 2 out of 2 in the Family 11 Carbohydrate-Binding Module From Clostridium Thermocellum in Complex with Beta-1,3-1,4-Mixed-Linked Tetrasaccharide


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 From Clostridium Thermocellum in Complex with Beta-1,3-1,4-Mixed-Linked Tetrasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca208 b:31.4 occ:1.00 OE1 A:GLU101 2.2 17.4 1.0 OG A:SER137 2.3 18.4 1.0 OD2 A:ASP141 2.3 18.9 1.0 OD2 A:ASP135 2.4 21.3 1.0 O A:THR139 2.4 18.2 1.0 OE1 A:GLU91 2.5 19.1 1.0 OD1 A:ASP135 2.7 19.4 1.0 OE2 A:GLU91 2.8 20.4 1.0 CG A:ASP135 2.9 20.0 1.0 CD A:GLU91 3.0 18.7 1.0 CD A:GLU101 3.4 17.4 1.0 CB A:SER137 3.5 18.8 1.0 CG A:ASP141 3.5 18.9 1.0 C A:THR139 3.6 18.4 1.0 OG1 A:THR139 3.9 18.1 1.0 N A:THR139 4.1 18.1 1.0 N A:SER137 4.2 19.2 1.0 OD1 A:ASP141 4.2 19.5 1.0 OE2 A:GLU101 4.2 17.6 1.0 CB A:GLU101 4.2 16.5 1.0 CA A:SER137 4.3 18.9 1.0 CA A:THR139 4.4 18.4 1.0 CB A:ASP135 4.4 20.0 1.0 N A:ASP141 4.4 18.6 1.0 CG A:GLU101 4.4 16.8 1.0 CG A:GLU91 4.5 18.2 1.0 NE1 A:TRP103 4.5 16.2 1.0 CB A:ASP141 4.5 18.6 1.0 N A:LEU140 4.5 19.2 1.0 N A:GLY138 4.6 18.4 1.0 O A:HOH311 4.6 16.8 1.0 CA A:LEU140 4.6 19.4 1.0 C A:SER137 4.8 18.7 1.0 CB A:THR139 4.8 18.2 1.0 C A:LEU140 4.9 19.5 1.0

D.O.Ribeiro, A.Viegas, V.M.R.Pires, J.Medeiros-Silva, P.Bule, W.Chai, F.Marcelo, C.M.G.A.Fontes, E.J.Cabrita, A.S.Palma, A.L.Carvalho. Molecular Basis For the Preferential Recognition of Beta 1,3-1,4-Glucans By the Family 11 Carbohydrate-Binding Module From Clostridium Thermocellum. Febs J. 2019.
ISSN: ISSN 1742-464X
PubMed: 31794092
DOI: 10.1111/FEBS.15162