Chlorine in PDB 3bxf: Crystal Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From Bacillus Subtilis in Complex with Effector Fructose-1,6-Bisphosphate

The structure of Crystal Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From Bacillus Subtilis in Complex with Effector Fructose-1,6-Bisphosphate, PDB code: 3bxf was solved by P.Rezacova, Z.Otwinowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.64 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.447, 83.245, 116.457, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 25.7

The binding sites of Chlorine atom in the Crystal Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From Bacillus Subtilis in Complex with Effector Fructose-1,6-Bisphosphate (pdb code 3bxf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From Bacillus Subtilis in Complex with Effector Fructose-1,6-Bisphosphate, PDB code: 3bxf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From Bacillus Subtilis in Complex with Effector Fructose-1,6-Bisphosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From Bacillus Subtilis in Complex with Effector Fructose-1,6-Bisphosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:24.2 occ:1.00 NZ B:LYS183 3.2 34.0 1.0 O A:HOH424 3.2 25.8 1.0 N B:LYS183 3.2 28.3 1.0 N A:LEU203 3.3 29.1 1.0 N B:VAL182 3.6 28.7 1.0 CB B:LYS183 3.7 28.1 1.0 CA A:ARG202 3.7 28.3 1.0 CG B:LYS183 3.7 26.6 1.0 CB B:ASP181 3.8 29.8 1.0 CE B:LYS183 4.0 31.4 1.0 O A:TYR201 4.0 26.4 1.0 C A:ARG202 4.0 28.8 1.0 CA B:LYS183 4.0 27.6 1.0 CB B:VAL182 4.0 27.7 1.0 C B:VAL182 4.1 27.5 1.0 CA B:VAL182 4.1 28.1 1.0 CG A:LEU203 4.1 28.7 1.0 CD A:ARG202 4.1 30.9 1.0 C B:ASP181 4.2 28.8 1.0 CB A:LEU203 4.2 28.8 1.0 CE2 A:TYR201 4.3 30.2 1.0 CA A:LEU203 4.3 29.1 1.0 CD2 A:TYR201 4.4 29.3 1.0 CD B:LYS183 4.4 31.6 1.0 O B:HOH704 4.5 31.3 1.0 CA B:ASP181 4.6 29.6 1.0 N A:ARG202 4.6 27.5 1.0 C A:TYR201 4.6 27.8 1.0 CB A:ARG202 4.6 28.8 1.0 CD1 A:LEU203 4.7 29.5 1.0 O A:LEU203 4.7 27.8 1.0 CG B:ASP181 4.7 29.7 1.0 CG2 B:VAL182 4.9 29.5 1.0 O B:ASP181 5.0 29.1 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From Bacillus Subtilis in Complex with Effector Fructose-1,6-Bisphosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From Bacillus Subtilis in Complex with Effector Fructose-1,6-Bisphosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:28.6 occ:1.00 O B:HOH787 3.2 32.9 1.0 NH1 B:ARG129 3.2 29.9 1.0 NH2 B:ARG129 3.3 29.4 1.0 CZ B:ARG129 3.7 29.5 1.0 CE B:MET159 4.6 31.0 1.0 O B:HOH810 5.0 39.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From Bacillus Subtilis in Complex with Effector Fructose-1,6-Bisphosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From Bacillus Subtilis in Complex with Effector Fructose-1,6-Bisphosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:35.1 occ:1.00 N B:ASP116 3.1 28.9 1.0 O B:HOH786 3.2 40.4 1.0 OG B:SER120 3.2 29.5 1.0 CA B:GLY115 3.3 28.7 1.0 CB B:SER120 3.7 30.8 1.0 C B:GLY115 3.8 29.5 1.0 O B:ASP116 4.0 29.5 1.0 CA B:ASP116 4.2 28.9 1.0 CG2 B:VAL123 4.4 27.5 1.0 C B:ASP116 4.5 29.0 1.0 CB B:ASP116 4.5 28.7 1.0 N B:GLY115 4.7 29.1 1.0 N B:SER120 4.8 30.7 1.0 CA B:SER120 4.9 31.0 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From Bacillus Subtilis in Complex with Effector Fructose-1,6-Bisphosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From Bacillus Subtilis in Complex with Effector Fructose-1,6-Bisphosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:28.0 occ:1.00 O B:HOH623 3.0 19.3 1.0 N B:LEU178 3.0 33.4 1.0 N B:GLU180 3.5 30.4 1.0 CG B:GLN185 3.6 29.8 1.0 N B:GLY179 3.6 31.6 1.0 CB B:GLU180 3.6 31.4 1.0 CA B:LEU178 3.7 32.5 1.0 CB B:LEU178 3.7 32.8 1.0 CG B:GLU180 3.7 31.4 1.0 C B:LEU178 3.9 32.7 1.0 N B:GLY177 3.9 35.4 1.0 C B:GLY177 4.1 35.0 1.0 CA B:GLU180 4.1 30.8 1.0 CB B:GLN185 4.2 27.9 1.0 O B:HOH708 4.3 39.3 1.0 C B:GLY176 4.3 35.0 1.0 CA B:GLY177 4.3 35.2 1.0 CA B:GLN185 4.3 28.3 1.0 CG B:LEU178 4.3 32.4 1.0 O B:GLU180 4.4 30.4 1.0 O B:HOH630 4.5 21.0 1.0 C B:GLY179 4.5 31.5 1.0 CD B:GLN185 4.5 29.0 1.0 CA B:GLY179 4.6 31.3 1.0 CA B:GLY176 4.6 34.6 1.0 O B:HOH617 4.6 22.1 1.0 O B:LEU178 4.7 32.5 1.0 O B:HOH848 4.7 21.9 0.5 C B:GLU180 4.7 30.6 1.0 NE2 B:GLN185 4.8 29.8 1.0 O B:GLY176 4.8 35.3 1.0 CD1 B:LEU178 4.9 31.9 1.0

P.Rezacova, M.Kozisek, S.F.Moy, I.Sieglova, A.Joachimiak, M.Machius, Z.Otwinowski. Crystal Structures of the Effector-Binding Domain of Repressor Central Glycolytic Gene Regulator From Bacillus Subtilis Reveal Ligand-Induced Structural Changes Upon Binding of Several Glycolytic Intermediates. Mol.Microbiol. V. 69 895 2008.
ISSN: ISSN 0950-382X
PubMed: 18554327
DOI: 10.1111/J.1365-2958.2008.06318.X