Chlorine in PDB 7ms2: Three-Dimensional Structure of A GH3 Beta-Glucosidase From Clostridium Thermocellum in Complex with Glycerol

All present enzymatic activity of Three-Dimensional Structure of A GH3 Beta-Glucosidase From Clostridium Thermocellum in Complex with Glycerol:
3.2.1.21;

The structure of Three-Dimensional Structure of A GH3 Beta-Glucosidase From Clostridium Thermocellum in Complex with Glycerol, PDB code: 7ms2 was solved by L.R.Almeida, J.R.C.Muniz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.44 / 2.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.84, 148.06, 198.64, 90, 90, 90
R / Rfree (%)	20.2 / 23

The binding sites of Chlorine atom in the Three-Dimensional Structure of A GH3 Beta-Glucosidase From Clostridium Thermocellum in Complex with Glycerol (pdb code 7ms2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Three-Dimensional Structure of A GH3 Beta-Glucosidase From Clostridium Thermocellum in Complex with Glycerol, PDB code: 7ms2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Three-Dimensional Structure of A GH3 Beta-Glucosidase From Clostridium Thermocellum in Complex with Glycerol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Three-Dimensional Structure of A GH3 Beta-Glucosidase From Clostridium Thermocellum in Complex with Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl805 b:24.2 occ:1.00 N A:ALA156 3.2 20.2 1.0 ND2 A:ASN110 3.4 19.7 1.0 N A:ILE111 3.4 20.4 1.0 CD1 A:TYR179 3.5 24.4 1.0 ND2 A:ASN158 3.5 18.7 1.0 CA A:ALA156 3.6 19.5 1.0 CE1 A:PHE183 3.6 23.4 1.0 CA A:ASN110 3.8 21.2 1.0 CB A:TYR179 3.9 25.9 1.0 CB A:ASN110 4.0 18.8 1.0 OD1 A:ASN158 4.1 26.1 1.0 O A:TYR179 4.1 29.1 1.0 C A:ASN110 4.1 20.4 1.0 CG A:ASN110 4.2 18.6 1.0 CG A:TYR179 4.2 23.7 1.0 CA A:TYR179 4.2 24.8 1.0 CG A:ASN158 4.2 25.0 1.0 N A:ASN157 4.3 25.6 1.0 CB A:ILE111 4.3 18.9 1.0 C A:ALA155 4.4 23.6 1.0 C A:ALA156 4.4 23.9 1.0 CG1 A:ILE111 4.4 20.6 1.0 CZ A:PHE183 4.4 24.1 1.0 CA A:ILE111 4.5 17.1 1.0 C A:TYR179 4.5 28.2 1.0 CE1 A:TYR179 4.5 21.9 1.0 CD1 A:PHE183 4.5 28.0 1.0 CA A:ALA155 4.7 23.6 1.0 CB A:ALA156 4.7 20.1 1.0 CB A:ALA155 4.8 27.8 1.0 O A:HIS153 4.9 21.2 1.0 N A:ASN110 5.0 20.6 1.0 O A:ALA109 5.0 24.0 1.0

Chlorine binding site 2 out of 2 in the Three-Dimensional Structure of A GH3 Beta-Glucosidase From Clostridium Thermocellum in Complex with Glycerol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Three-Dimensional Structure of A GH3 Beta-Glucosidase From Clostridium Thermocellum in Complex with Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl804 b:25.3 occ:1.00 ND2 B:ASN110 3.3 26.6 1.0 N B:ALA156 3.3 31.4 1.0 N B:ILE111 3.5 23.9 1.0 CD1 B:TYR179 3.6 31.2 1.0 ND2 B:ASN158 3.6 22.3 1.0 CE1 B:PHE183 3.6 32.5 1.0 CA B:ALA156 3.7 28.2 1.0 CA B:ASN110 3.8 23.3 1.0 CB B:TYR179 3.8 29.8 1.0 O B:TYR179 3.9 33.2 1.0 CB B:ASN110 4.0 24.8 1.0 CA B:TYR179 4.1 28.8 1.0 CG B:ASN110 4.1 30.1 1.0 OD1 B:ASN158 4.2 33.3 1.0 CG B:TYR179 4.2 26.9 1.0 C B:ASN110 4.2 22.5 1.0 C B:TYR179 4.3 31.5 1.0 CG B:ASN158 4.3 31.6 1.0 CB B:ILE111 4.4 20.3 1.0 N B:ASN157 4.4 28.3 1.0 C B:ALA155 4.5 33.9 1.0 CD1 B:PHE183 4.5 32.0 1.0 CZ B:PHE183 4.5 29.9 1.0 CG1 B:ILE111 4.5 24.9 1.0 C B:ALA156 4.5 29.2 1.0 CA B:ILE111 4.6 20.3 1.0 CE1 B:TYR179 4.7 26.2 1.0 CA B:ALA155 4.8 33.2 1.0 CB B:ALA156 4.8 33.6 1.0 CB B:ALA155 4.8 29.6 1.0 O B:HIS153 4.9 31.4 1.0 O B:ALA109 5.0 27.1 1.0 N B:ASN110 5.0 22.2 1.0

L.R.Almeida, J.R.C.Muniz. Three-Dimensional Structure of A GH3 Beta-Glucosidase From Clostridium Thermocellum in Complex with Glycerol To Be Published.