Chlorine in PDB 6c9x: The Crystal Structure of the Alpha-Glucosidase (Gh 31) From Ruminococcus Obeum Atcc 29174 in Complex with Voglibose

The structure of The Crystal Structure of the Alpha-Glucosidase (Gh 31) From Ruminococcus Obeum Atcc 29174 in Complex with Voglibose, PDB code: 6c9x was solved by K.Tan, C.Tesar, R.Jedrzejczak, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.89 / 1.46
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.418, 124.308, 87.741, 90.00, 108.50, 90.00
R / Rfree (%)	14.2 / 16.2

The structure of The Crystal Structure of the Alpha-Glucosidase (Gh 31) From Ruminococcus Obeum Atcc 29174 in Complex with Voglibose also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Chlorine atom in the The Crystal Structure of the Alpha-Glucosidase (Gh 31) From Ruminococcus Obeum Atcc 29174 in Complex with Voglibose (pdb code 6c9x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Crystal Structure of the Alpha-Glucosidase (Gh 31) From Ruminococcus Obeum Atcc 29174 in Complex with Voglibose, PDB code: 6c9x:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Crystal Structure of the Alpha-Glucosidase (Gh 31) From Ruminococcus Obeum Atcc 29174 in Complex with Voglibose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of the Alpha-Glucosidase (Gh 31) From Ruminococcus Obeum Atcc 29174 in Complex with Voglibose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:28.6 occ:0.79 O A:HOH1509 3.0 38.7 1.0 N A:GLU636 3.3 26.1 1.0 NZ A:LYS574 3.5 28.0 1.0 CA A:TYR635 3.8 17.6 1.0 CG A:GLU636 3.9 39.8 1.0 CE A:LYS574 3.9 25.8 1.0 CB A:GLU636 3.9 30.2 1.0 CD2 A:TYR635 4.0 17.4 1.0 C A:TYR635 4.1 20.7 1.0 O A:GLY634 4.2 22.1 1.0 CA A:GLU636 4.2 21.9 1.0 CB A:TYR635 4.4 19.1 1.0 CG A:TYR635 4.4 16.6 1.0 CE2 A:TYR635 4.7 15.9 1.0 N A:TYR635 4.9 17.3 1.0 C A:GLY634 4.9 18.5 1.0

Chlorine binding site 2 out of 4 in the The Crystal Structure of the Alpha-Glucosidase (Gh 31) From Ruminococcus Obeum Atcc 29174 in Complex with Voglibose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of the Alpha-Glucosidase (Gh 31) From Ruminococcus Obeum Atcc 29174 in Complex with Voglibose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:22.0 occ:0.83 O A:HOH1326 3.1 28.4 1.0 N A:ASP216 3.1 22.1 1.0 C A:ASP216 3.4 19.1 1.0 NZ A:LYS174 3.4 30.3 1.0 O A:ASP216 3.5 21.7 1.0 CD A:PRO215 3.6 20.0 1.0 N A:PRO215 3.6 21.6 1.0 O A:HOH839 3.6 34.1 1.0 CD A:LYS174 3.7 21.1 1.0 CA A:PHE214 3.7 19.8 1.0 C A:PHE214 3.7 17.3 1.0 CA A:ASP216 3.7 20.3 1.0 N A:PHE217 3.8 19.4 1.0 CE A:LYS174 4.0 24.3 1.0 CB A:PHE220 4.0 16.4 1.0 CB A:ASP216 4.1 21.7 1.0 CA A:PHE217 4.1 17.7 1.0 CG A:PRO215 4.2 27.6 1.0 CB A:PHE214 4.2 18.5 1.0 C A:PRO215 4.2 27.4 1.0 O A:PHE214 4.3 22.2 1.0 CA A:PRO215 4.5 24.9 1.0 CD1 A:PHE214 4.6 18.6 1.0 O A:ASN213 4.6 19.8 1.0 N A:PHE220 4.7 17.0 1.0 CG A:LYS174 4.7 19.7 1.0 O A:HOH1325 4.7 31.5 1.0 CG A:PHE220 4.9 16.9 1.0 N A:PHE214 4.9 17.4 1.0 CG A:PHE214 4.9 18.5 1.0 CA A:PHE220 5.0 16.6 1.0 CB A:PRO215 5.0 26.8 1.0 C A:PHE217 5.0 17.6 1.0

Chlorine binding site 3 out of 4 in the The Crystal Structure of the Alpha-Glucosidase (Gh 31) From Ruminococcus Obeum Atcc 29174 in Complex with Voglibose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of the Alpha-Glucosidase (Gh 31) From Ruminococcus Obeum Atcc 29174 in Complex with Voglibose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl703 b:23.7 occ:0.78 N B:GLU636 3.3 18.8 1.0 NZ B:LYS574 3.3 20.9 1.0 CE B:LYS574 3.8 21.6 1.0 CA B:TYR635 3.8 14.2 1.0 CD1 B:TYR635 3.9 19.0 1.0 CB B:GLU636 4.0 23.1 1.0 C B:TYR635 4.0 16.7 1.0 O B:GLY634 4.1 17.2 1.0 CA B:GLU636 4.2 20.1 1.0 CB B:TYR635 4.4 14.4 1.0 CG B:TYR635 4.5 14.5 1.0 CE1 B:TYR635 4.7 16.8 1.0 O B:GLU636 4.8 23.1 1.0 N B:TYR635 4.8 13.8 1.0 C B:GLY634 4.9 16.8 1.0

Chlorine binding site 4 out of 4 in the The Crystal Structure of the Alpha-Glucosidase (Gh 31) From Ruminococcus Obeum Atcc 29174 in Complex with Voglibose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of the Alpha-Glucosidase (Gh 31) From Ruminococcus Obeum Atcc 29174 in Complex with Voglibose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl704 b:25.1 occ:0.77 N B:ASP216 3.2 25.5 1.0 O B:HOH1459 3.2 37.5 1.0 O B:ASP216 3.4 23.7 1.0 NZ B:LYS174 3.4 29.7 1.0 C B:ASP216 3.4 21.4 1.0 CD B:PRO215 3.6 24.3 1.0 N B:PRO215 3.6 22.8 1.0 CD B:LYS174 3.6 23.2 1.0 CA B:PHE214 3.6 20.1 1.0 C B:PHE214 3.7 21.1 1.0 CA B:ASP216 3.8 21.1 1.0 CE B:LYS174 3.8 27.8 1.0 N B:PHE217 4.0 18.1 1.0 CG B:PRO215 4.1 27.3 1.0 CB B:PHE220 4.1 20.6 1.0 CB B:ASP216 4.1 25.6 1.0 CB B:PHE214 4.2 19.3 1.0 C B:PRO215 4.2 26.2 1.0 CA B:PHE217 4.4 16.0 1.0 O B:PHE214 4.4 22.9 1.0 CA B:PRO215 4.4 24.9 1.0 O B:ASN213 4.6 23.6 1.0 CD1 B:PHE214 4.6 20.7 1.0 CG B:LYS174 4.7 19.6 1.0 O B:HOH926 4.7 33.7 1.0 N B:PHE220 4.8 20.5 1.0 N B:PHE214 4.8 21.1 1.0 CG B:PHE214 4.9 18.9 1.0 CG B:PHE220 4.9 20.1 1.0 CB B:PRO215 4.9 24.6 1.0

K.Tan, C.Tesar, R.Jedrzejczak, A.Joachimiak. The Crystal Structure of the Alpha-Glucosidase (Gh 31) From Ruminococcus Obeum Atcc 29174 in Complex with Voglibose To Be Published.