Calcium in PDB 1uyy: Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Cellotriose

The structure of Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Cellotriose, PDB code: 1uyy was solved by M.Czjzek, V.M.R.Pires, J.Henshaw, J.A.M.Prates, D.Bolam, B.Henrissat, H.J.Gilbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.70 / 1.47
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.550, 67.650, 85.290, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 18.9

The binding sites of Calcium atom in the Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Cellotriose (pdb code 1uyy). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Cellotriose, PDB code: 1uyy:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Cellotriose


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 (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Cellotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1132 b:18.4 occ:1.00 OD1 A:ASN123 2.3 12.1 1.0 O A:LYS29 2.3 13.9 1.0 OE1 A:GLN7 2.4 13.6 1.0 O A:HOH2009 2.4 25.9 1.0 OE1 A:GLU9 2.5 15.1 1.0 O A:ASN123 2.5 11.2 1.0 OE2 A:GLU9 3.2 18.4 1.0 CD A:GLU9 3.2 15.7 1.0 C A:ASN123 3.5 10.4 1.0 CG A:ASN123 3.5 11.0 1.0 C A:LYS29 3.5 14.0 1.0 CD A:GLN7 3.5 13.0 1.0 CA A:ASN123 3.9 10.6 1.0 CB A:GLN7 4.0 11.4 1.0 O A:HOH2007 4.1 23.9 1.0 N A:LYS29 4.2 15.9 1.0 CG A:GLN7 4.2 11.9 1.0 CB A:ASN123 4.3 10.8 1.0 N A:ALA8 4.3 10.9 1.0 CA A:GLN7 4.4 11.2 1.0 CA A:LYS29 4.4 15.4 1.0 ND2 A:ASN123 4.5 12.2 1.0 N A:ASN30 4.5 12.8 1.0 CA A:ASN30 4.5 12.2 1.0 N A:TRP124 4.6 10.2 1.0 NE2 A:GLN7 4.6 13.2 1.0 CG A:GLU9 4.7 14.0 1.0 C A:GLN7 4.8 11.2 1.0 CB A:TRP124 4.8 10.3 1.0 CD1 A:TRP124 4.9 11.1 1.0 N A:GLU9 5.0 11.5 1.0

Calcium binding site 2 out of 4 in the Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Cellotriose


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 (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Cellotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1133 b:10.6 occ:1.00 OD2 A:ASP35 2.3 12.4 1.0 O A:GLY16 2.3 10.8 1.0 O A:TYR33 2.3 11.2 1.0 O A:HOH2060 2.3 15.2 1.0 OD2 A:ASP38 2.4 10.9 1.0 C A:GLY16 3.4 10.6 1.0 CG A:ASP35 3.4 10.6 1.0 CG A:ASP38 3.4 9.8 1.0 C A:TYR33 3.4 11.7 1.0 OD1 A:ASP38 3.7 10.1 1.0 N A:ASP35 3.9 11.1 1.0 CB A:ASP35 3.9 10.8 1.0 CA A:GLY16 4.1 10.5 1.0 N A:ILE34 4.2 11.6 1.0 CA A:ILE34 4.2 11.7 1.0 C A:ILE34 4.2 11.3 1.0 N A:THR17 4.4 11.2 1.0 CB A:TYR33 4.4 12.7 1.0 OD1 A:ASP35 4.4 12.1 1.0 CA A:TYR33 4.4 11.9 1.0 CA A:THR17 4.6 11.9 1.0 CA A:ASP35 4.6 10.6 1.0 CB A:ASP38 4.7 9.9 1.0

Calcium binding site 3 out of 4 in the Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Cellotriose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Cellotriose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1132 b:17.4 occ:1.00 O B:LYS29 2.3 15.0 1.0 OD1 B:ASN123 2.3 12.5 1.0 OE1 B:GLN7 2.4 14.7 1.0 O B:HOH2008 2.4 23.2 1.0 OE1 B:GLU9 2.5 14.8 1.0 O B:ASN123 2.5 10.9 1.0 OE2 B:GLU9 3.2 18.6 1.0 CD B:GLU9 3.2 14.6 1.0 C B:ASN123 3.4 10.4 1.0 CG B:ASN123 3.5 11.8 1.0 C B:LYS29 3.5 14.9 1.0 CD B:GLN7 3.6 13.4 1.0 CA B:ASN123 3.9 10.8 1.0 CB B:GLN7 4.0 11.6 1.0 N B:LYS29 4.2 16.9 1.0 CG B:GLN7 4.3 12.9 1.0 N B:ALA8 4.3 10.8 1.0 O B:HOH2012 4.3 30.2 1.0 CB B:ASN123 4.3 10.4 1.0 CA B:LYS29 4.4 16.1 1.0 CA B:GLN7 4.4 11.5 1.0 N B:ASN30 4.5 13.8 1.0 ND2 B:ASN123 4.5 13.0 1.0 O B:HOH2009 4.5 34.7 1.0 CA B:ASN30 4.5 13.3 1.0 N B:TRP124 4.6 10.5 1.0 NE2 B:GLN7 4.6 15.4 1.0 CG B:GLU9 4.7 14.4 1.0 C B:GLN7 4.8 11.4 1.0 CB B:TRP124 4.9 11.1 1.0 CD1 B:TRP124 4.9 13.1 1.0 N B:GLU9 5.0 11.7 1.0 CB B:LYS29 5.0 16.4 1.0

Calcium binding site 4 out of 4 in the Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Cellotriose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Cellotriose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1133 b:10.8 occ:1.00 O B:GLY16 2.3 10.9 1.0 OD2 B:ASP35 2.3 13.1 1.0 O B:TYR33 2.3 12.1 1.0 O B:HOH2060 2.4 14.4 1.0 OD2 B:ASP38 2.4 10.2 1.0 O A:HOH2006 2.4 12.9 1.0 C B:GLY16 3.4 10.5 1.0 CG B:ASP35 3.4 11.8 1.0 CG B:ASP38 3.4 10.2 1.0 C B:TYR33 3.5 11.9 1.0 OD1 B:ASP38 3.7 10.8 1.0 N B:ASP35 3.8 11.9 1.0 CB B:ASP35 4.0 11.5 1.0 CA B:GLY16 4.0 10.7 1.0 CA B:ILE34 4.2 12.1 1.0 O B:HOH2061 4.2 18.5 1.0 N B:ILE34 4.2 12.2 1.0 C B:ILE34 4.3 12.0 1.0 O A:HOH2013 4.3 13.4 1.0 N B:THR17 4.4 11.3 1.0 OD1 B:ASP35 4.4 12.8 1.0 CB B:TYR33 4.4 13.1 1.0 O A:THR5 4.5 11.7 1.0 CA B:TYR33 4.5 12.8 1.0 CA B:ASP35 4.5 11.4 1.0 CA B:THR17 4.5 11.9 1.0 CB B:ASP38 4.8 10.3 1.0 O A:HOH2073 4.8 13.9 1.0 CG2 A:THR45 4.9 10.3 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