Chlorine in PDB 1uy0: Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Glc-1,3-Glc-1,4-Glc-1,3-Glc

The structure of Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Glc-1,3-Glc-1,4-Glc-1,3-Glc, PDB code: 1uy0 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 / 1.65
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 (%)	15.4 / 17.7

The structure of Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Glc-1,3-Glc-1,4-Glc-1,3-Glc also contains other interesting chemical elements:

Calcium	(Ca)	4 atoms
Sodium	(Na)	3 atoms

The binding sites of Chlorine atom in the Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Glc-1,3-Glc-1,4-Glc-1,3-Glc (pdb code 1uy0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Glc-1,3-Glc-1,4-Glc-1,3-Glc, PDB code: 1uy0:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Glc-1,3-Glc-1,4-Glc-1,3-Glc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Glc-1,3-Glc-1,4-Glc-1,3-Glc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1137 b:24.8 occ:1.00 O A:HOH2056 3.0 26.3 1.0 N A:GLY118 3.2 18.3 1.0 N A:ALA36 3.2 14.2 1.0 O A:HOH2143 3.6 33.1 1.0 CB A:ALA36 3.8 16.3 1.0 CA A:GLY118 3.9 18.2 1.0 CA A:ASP35 3.9 13.4 1.0 C A:ASP35 4.1 13.0 1.0 CA A:ALA36 4.1 15.1 1.0 CB A:ASP35 4.1 12.2 1.0 C A:ALA117 4.1 17.9 1.0 CA A:ALA117 4.2 18.2 1.0 OD1 A:ASP35 4.5 16.6 1.0 O A:HOH2061 4.6 51.8 1.0 C A:GLY118 4.8 17.6 1.0 CG A:ASP35 4.8 14.6 1.0 CB A:ALA117 4.9 18.6 1.0

Chlorine binding site 2 out of 3 in the Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Glc-1,3-Glc-1,4-Glc-1,3-Glc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Glc-1,3-Glc-1,4-Glc-1,3-Glc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1139 b:30.6 occ:1.00 OG1 A:THR94 3.2 22.1 1.0 N A:GLN93 3.3 19.6 1.0 O A:HOH2109 3.4 51.8 1.0 C A:GLN93 3.5 19.1 1.0 N A:THR94 3.5 18.9 1.0 CA A:GLY91 3.7 22.8 1.0 CA A:GLN93 3.7 19.2 1.0 C A:GLY91 3.8 22.2 1.0 N A:TRP92 3.8 21.2 1.0 CB A:GLN93 3.9 19.1 1.0 O A:GLN93 4.0 20.0 1.0 O A:HOH2083 4.1 33.7 1.0 CB A:THR94 4.2 19.8 1.0 CA A:THR94 4.3 19.1 1.0 C A:TRP92 4.4 19.9 1.0 O A:GLY91 4.4 20.9 1.0 CA A:TRP92 4.6 21.1 1.0 N A:GLY91 4.6 24.0 1.0 O A:HOH2107 4.7 51.1 1.0 O A:HOH2111 4.8 45.6 1.0 O A:GLY90 4.9 26.8 1.0

Chlorine binding site 3 out of 3 in the Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Glc-1,3-Glc-1,4-Glc-1,3-Glc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Carbohydrate Binding Module (CBM6CM-2) From Cellvibrio Mixtus Lichenase 5A in Complex with Glc-1,3-Glc-1,4-Glc-1,3-Glc within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1139 b:32.0 occ:1.00 OG1 B:THR94 3.1 23.8 1.0 N B:GLN93 3.2 20.6 1.0 C B:GLN93 3.5 21.2 1.0 N B:THR94 3.5 21.1 1.0 CA B:GLY91 3.6 24.6 1.0 C B:GLY91 3.7 23.6 1.0 CA B:GLN93 3.7 20.9 1.0 N B:TRP92 3.7 22.7 1.0 CB B:GLN93 4.0 21.1 1.0 O B:GLN93 4.0 21.8 1.0 O B:HOH2121 4.1 36.5 1.0 CB B:THR94 4.2 22.1 1.0 CA B:THR94 4.4 21.2 1.0 C B:TRP92 4.4 21.3 1.0 O B:GLY91 4.4 22.5 1.0 CA B:TRP92 4.6 21.4 1.0 N B:GLY91 4.7 25.6 1.0 O B:HOH2123 4.8 50.2 1.0 O B:HOH2056 5.0 41.5 1.0 O B:GLY90 5.0 28.6 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