Calcium in PDB 1uxx: CBM6CT From Clostridium Thermocellum in Complex with Xylopentaose

All present enzymatic activity of CBM6CT From Clostridium Thermocellum in Complex with Xylopentaose:
3.2.1.8;

The structure of CBM6CT From Clostridium Thermocellum in Complex with Xylopentaose, PDB code: 1uxx was solved by M.Czjzek, V.M.R.Pires, J.Henshaw, J.A.M.Prates, D.B.B.Henrissat, H.J.Gilbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.99 / 1.6
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	27.480, 51.680, 36.130, 90.00, 102.78, 90.00
R / Rfree (%)	18 / 22.2

The binding sites of Calcium atom in the CBM6CT From Clostridium Thermocellum in Complex with Xylopentaose (pdb code 1uxx). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the CBM6CT From Clostridium Thermocellum in Complex with Xylopentaose, PDB code: 1uxx:

Calcium binding site 1 out of 1 in the CBM6CT From Clostridium Thermocellum in Complex with Xylopentaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of CBM6CT From Clostridium Thermocellum in Complex with Xylopentaose within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca1130 b:11.1 occ:1.00 OE1 X:GLU8 2.3 11.2 1.0 O X:SER30 2.3 9.6 1.0 OD1 X:ASP122 2.3 8.3 1.0 O X:ASP122 2.4 7.2 1.0 OE1 X:GLU10 2.4 10.0 1.0 O X:HOH2100 2.5 13.9 1.0 OE2 X:GLU10 2.6 12.2 1.0 CD X:GLU10 2.9 11.4 1.0 C X:ASP122 3.3 6.9 1.0 C X:SER30 3.4 10.3 1.0 CD X:GLU8 3.4 14.5 1.0 CG X:ASP122 3.5 7.3 1.0 CA X:ASP122 3.8 6.9 1.0 CB X:GLU8 4.2 10.8 1.0 N X:SER30 4.2 13.3 1.0 O X:HOH2099 4.2 21.1 1.0 CA X:GLY31 4.2 7.1 1.0 N X:GLY31 4.2 8.5 1.0 CB X:ASP122 4.3 7.3 1.0 OE2 X:GLU8 4.3 15.7 1.0 N X:TYR123 4.3 7.4 1.0 CA X:SER30 4.3 12.3 1.0 CG X:GLU8 4.3 10.6 1.0 CG X:GLU10 4.4 10.9 1.0 OD2 X:ASP122 4.4 10.1 1.0 CA X:GLU8 4.5 9.8 1.0 CB X:TYR123 4.5 8.0 1.0 N X:SER9 4.6 8.5 1.0 O X:HOH2005 4.6 16.8 1.0 OG X:SER9 4.7 7.5 1.0 CA X:TYR123 4.8 7.0 1.0 CB X:SER30 4.8 13.4 1.0 CD2 X:TYR123 4.9 7.6 1.0 C X:GLU8 5.0 9.4 1.0

V.M.R.Pires, J.Henshaw, J.A.M.Prates, D.Bolam, L.M.A.Ferreira, C.M.G.A.Fontes, B.Henrissat, A.Planas, H.J.Gilbert, M.Czjzek. The Crystal Structure of the Family 6 Carbohydrate Binding Module From Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem. V. 279 21560 2004.
ISSN: ISSN 0021-9258
PubMed: 15010454
DOI: 10.1074/JBC.M401599200