Calcium in PDB 2xon: Structure of TMCBM61 in Complex with Beta-1,4-Galactotriose at 1.4 A Resolution

The structure of Structure of TMCBM61 in Complex with Beta-1,4-Galactotriose at 1.4 A Resolution, PDB code: 2xon was solved by M.Cid, H.Lodberg-Pedersen, S.Kaneko, P.M.Coutinho, B.Henrissat, W.G.T.Willats, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.26 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.900, 61.850, 55.530, 90.00, 105.14, 90.00
R / Rfree (%)	11.649 / 16.673

The binding sites of Calcium atom in the Structure of TMCBM61 in Complex with Beta-1,4-Galactotriose at 1.4 A Resolution (pdb code 2xon). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of TMCBM61 in Complex with Beta-1,4-Galactotriose at 1.4 A Resolution, PDB code: 2xon:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of TMCBM61 in Complex with Beta-1,4-Galactotriose at 1.4 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of TMCBM61 in Complex with Beta-1,4-Galactotriose at 1.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1166 b:9.7 occ:1.00 OE2 A:GLU31 2.3 10.2 1.0 OE1 A:GLN60 2.3 11.3 1.0 O A:TYR63 2.3 8.8 1.0 O A:GLY29 2.4 8.5 1.0 O A:GLN60 2.4 10.4 1.0 OD2 A:ASP158 2.4 9.0 1.0 OD1 A:ASP158 2.7 9.3 1.0 CG A:ASP158 2.9 9.1 1.0 CD A:GLN60 3.4 13.9 1.0 C A:GLY29 3.4 8.2 1.0 CD A:GLU31 3.4 10.4 1.0 C A:TYR63 3.5 7.9 1.0 C A:GLN60 3.5 11.1 1.0 CA A:GLY29 3.7 9.7 1.0 CG A:GLU31 4.0 9.2 1.0 N A:TYR63 4.0 8.2 1.0 CG A:GLN60 4.0 13.6 1.0 CA A:TYR63 4.2 8.3 1.0 N A:GLN60 4.3 10.5 1.0 N A:GLY61 4.4 11.9 1.0 CA A:GLN60 4.4 12.2 1.0 CA A:GLY61 4.4 11.0 1.0 CB A:ASP158 4.4 8.1 1.0 NE2 A:GLN60 4.4 17.7 1.0 N A:ALA64 4.5 8.5 1.0 OE1 A:GLU31 4.5 10.3 1.0 C A:GLY61 4.6 10.8 1.0 CB A:ALA58 4.6 10.2 1.0 CB A:TYR63 4.6 8.9 1.0 N A:PHE30 4.6 8.6 1.0 N A:GLU62 4.6 10.6 1.0 CA A:ALA64 4.7 8.1 1.0 CB A:GLN60 4.7 13.6 1.0 N A:ASP159 5.0 7.8 1.0 N A:GLU31 5.0 8.2 1.0

Calcium binding site 2 out of 2 in the Structure of TMCBM61 in Complex with Beta-1,4-Galactotriose at 1.4 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of TMCBM61 in Complex with Beta-1,4-Galactotriose at 1.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ L:Ca1170 b:11.8 occ:1.00 O L:TYR63 2.3 10.7 1.0 OE2 L:GLU31 2.3 11.7 1.0 OE1 L:GLN60 2.3 13.9 1.0 O L:GLN60 2.4 12.2 1.0 O L:GLY29 2.4 10.8 1.0 OD2 L:ASP158 2.4 10.8 1.0 OD1 L:ASP158 2.7 10.5 1.0 CG L:ASP158 2.9 9.7 1.0 CD L:GLN60 3.3 17.4 1.0 C L:GLY29 3.4 9.1 1.0 CD L:GLU31 3.4 12.5 1.0 C L:TYR63 3.5 10.2 1.0 C L:GLN60 3.5 14.2 1.0 CA L:GLY29 3.7 10.8 1.0 CG L:GLU31 4.0 11.4 1.0 CG L:GLN60 4.0 18.3 1.0 N L:TYR63 4.0 12.4 1.0 CA L:TYR63 4.2 11.3 1.0 NE2 L:GLN60 4.3 23.9 1.0 N L:GLN60 4.3 12.4 1.0 CA L:GLN60 4.4 15.2 1.0 N L:GLY61 4.4 15.5 1.0 CB L:ASP158 4.4 9.4 1.0 CA L:GLY61 4.4 14.7 1.0 N L:ALA64 4.5 9.8 1.0 OE1 L:GLU31 4.5 13.5 1.0 C L:GLY61 4.6 14.0 1.0 CB L:ALA58 4.6 12.3 1.0 CB L:TYR63 4.6 12.5 1.0 N L:PHE30 4.6 10.4 1.0 N L:GLU62 4.7 13.6 1.0 CA L:ALA64 4.7 8.9 1.0 CB L:GLN60 4.8 17.6 1.0 N L:ASP159 4.9 8.3 1.0 N L:GLU31 5.0 10.4 1.0

M.Cid, H.L.Pedersen, S.Kaneko, P.M.Coutinho, B.Henrissat, W.G.T.Willats, A.B.Boraston. Recognition of the Helical Structure of Beta-1,4- Galactan By A New Family of Carbohydrate-Binding Modules. J.Biol.Chem. V. 285 35999 2010.
ISSN: ISSN 0021-9258
PubMed: 20826814
DOI: 10.1074/JBC.M110.166330