Calcium in PDB 1ux7: Carbohydrate-Binding Module CBM36 in Complex with Calcium and Xylotriose

The structure of Carbohydrate-Binding Module CBM36 in Complex with Calcium and Xylotriose, PDB code: 1ux7 was solved by G.J.Davies, A.B.Boraston, S.Jamal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.80 / 1.5
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.581, 52.132, 54.766, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 20.2

The binding sites of Calcium atom in the Carbohydrate-Binding Module CBM36 in Complex with Calcium and Xylotriose (pdb code 1ux7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Carbohydrate-Binding Module CBM36 in Complex with Calcium and Xylotriose, PDB code: 1ux7:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Carbohydrate-Binding Module CBM36 in Complex with Calcium and Xylotriose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Carbohydrate-Binding Module CBM36 in Complex with Calcium and Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1134 b:15.4 occ:1.00 O A:TYR40 2.3 15.1 1.0 OD1 A:ASP121 2.4 14.9 1.0 OD1 A:ASP116 2.4 15.8 1.0 O A:TRP120 2.4 13.1 1.0 O A:HOH2152 2.4 19.2 1.0 O2B A:XYP1132 2.5 20.6 1.0 O3B A:XYP1132 2.7 21.1 1.0 C2B A:XYP1132 3.3 22.7 1.0 CG A:ASP116 3.4 16.2 1.0 C A:TYR40 3.4 14.3 1.0 C A:TRP120 3.5 12.9 1.0 C3B A:XYP1132 3.5 23.5 1.0 CG A:ASP121 3.6 14.7 1.0 OD2 A:ASP116 3.7 17.1 1.0 CA A:TYR40 4.0 13.3 1.0 N A:ASP121 4.1 12.9 1.0 CA A:ASP121 4.1 12.1 1.0 O A:HOH2159 4.2 20.2 1.0 O A:HOH2144 4.3 12.1 1.0 OD2 A:ASP121 4.3 16.9 1.0 CB A:ASP121 4.4 12.7 1.0 N A:TRP120 4.4 13.6 1.0 CA A:TRP120 4.6 13.3 1.0 N A:ALA41 4.6 15.0 1.0 CB A:TYR40 4.6 13.7 1.0 CA A:GLY118 4.6 17.5 1.0 CB A:ASP116 4.6 15.2 1.0 O A:HOH2147 4.7 24.5 1.0 O A:HOH2151 4.7 22.7 1.0 N A:GLY118 4.7 16.8 1.0 C1B A:XYP1132 4.8 24.6 1.0 C4B A:XYP1132 4.9 24.5 1.0 C A:GLY118 4.9 17.3 1.0 CA A:ALA41 5.0 14.9 1.0 N A:THR119 5.0 15.6 1.0

Calcium binding site 2 out of 2 in the Carbohydrate-Binding Module CBM36 in Complex with Calcium and Xylotriose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Carbohydrate-Binding Module CBM36 in Complex with Calcium and Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1135 b:11.3 occ:1.00 OE1 A:GLU16 2.2 15.0 1.0 OD1 A:ASP125 2.3 11.6 1.0 O A:ASP35 2.3 11.3 1.0 O A:HOH2155 2.4 14.7 1.0 OE2 A:GLU18 2.5 14.1 1.0 O A:ASP125 2.5 9.1 1.0 OE1 A:GLU18 2.5 12.7 1.0 CD A:GLU18 2.9 12.8 1.0 C A:ASP125 3.4 8.2 1.0 CD A:GLU16 3.4 15.6 1.0 C A:ASP35 3.4 11.2 1.0 CG A:ASP125 3.5 10.9 1.0 CA A:ASP125 3.8 8.6 1.0 CB A:GLU16 4.0 11.8 1.0 CG A:GLU16 4.2 12.9 1.0 CB A:ASP125 4.2 8.7 1.0 OE2 A:GLU16 4.2 19.7 1.0 CA A:GLY36 4.2 10.6 1.0 CB A:ASP35 4.2 13.5 1.0 N A:GLY36 4.3 10.9 1.0 CG A:GLU18 4.4 12.8 1.0 CA A:ASP35 4.4 12.6 1.0 OD2 A:ASP125 4.4 12.6 1.0 N A:PHE126 4.5 7.5 1.0 CA A:GLU16 4.5 11.0 1.0 O A:HOH2008 4.6 34.5 1.0 O A:HOH2156 4.6 21.9 1.0 N A:ALA17 4.6 9.4 1.0 CB A:PHE126 4.7 8.2 1.0 O A:HOH2010 4.7 23.0 1.0 O A:HOH2012 4.8 27.5 1.0 N A:ASP35 4.8 12.0 1.0 CD2 A:PHE126 4.9 10.3 1.0 CG A:ASP35 4.9 18.9 1.0 O A:HOH2041 5.0 27.1 1.0 CA A:PHE126 5.0 8.1 1.0 C A:GLU16 5.0 10.4 1.0

S.Jamal, A.B.Boraston, J.P.Turkenburg, N.Tarbouriech, V.M.-A.Ducros, G.J.Davies. Ab Initio Structure Determination and Functional Characterization of CBM36: A New Family of Calcium-Dependent Carbohydrate Binding Modules Structure V. 12 1177 2004.
ISSN: ISSN 0969-2126
PubMed: 15242594
DOI: 10.1016/J.STR.2004.04.022