Chlorine in PDB 1otu: Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex

The structure of Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex, PDB code: 1otu was solved by R.Dutzler, E.B.Campbell, R.Mackinnon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.85 / 3.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	232.113, 96.090, 170.284, 90.00, 131.39, 90.00
R / Rfree (%)	29.4 / 32.5

The binding sites of Chlorine atom in the Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex (pdb code 1otu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex, PDB code: 1otu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl466 b:55.0 occ:1.00 N A:GLY149 2.9 67.1 1.0 N A:ALA358 3.2 77.8 1.0 CB A:PHE357 3.2 79.7 1.0 N A:PHE357 3.2 78.1 1.0 CB A:GLN148 3.4 68.4 1.0 N A:GLN148 3.4 70.5 1.0 CA A:GLY146 3.6 73.8 1.0 CA A:PHE357 3.6 78.9 1.0 CG A:GLN148 3.6 68.4 1.0 CA A:GLN148 3.8 68.7 1.0 CL A:CL467 3.8 65.0 1.0 CA A:GLY149 3.8 65.5 1.0 C A:GLN148 3.8 68.2 1.0 C A:GLY146 3.8 74.1 1.0 N A:ARG147 3.8 75.0 1.0 C A:GLY355 3.8 74.1 1.0 C A:PHE357 3.9 78.4 1.0 CA A:GLY355 3.9 71.8 1.0 CB A:ALA358 4.0 74.9 1.0 N A:ILE356 4.0 74.3 1.0 CD A:PRO150 4.1 63.4 1.0 N A:GLY146 4.1 74.1 1.0 CA A:ALA358 4.2 75.6 1.0 O A:GLY355 4.2 76.4 1.0 C A:ILE356 4.3 76.7 1.0 C A:ARG147 4.4 71.8 1.0 CD A:PRO359 4.4 72.5 1.0 N A:GLY355 4.4 70.2 1.0 CG A:PHE357 4.5 80.8 1.0 O A:GLY146 4.5 72.0 1.0 CA A:ILE356 4.7 75.9 1.0 CA A:ARG147 4.7 74.9 1.0 C A:GLY149 4.9 64.8 1.0 O A:GLN148 5.0 69.1 1.0 CD A:GLN148 5.0 68.4 1.0 N A:PRO150 5.0 65.0 1.0

Chlorine binding site 2 out of 6 in the Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl467 b:65.0 occ:1.00 OH A:TYR445 2.7 90.9 1.0 CA A:GLY355 3.1 71.8 1.0 OG A:SER107 3.2 85.2 1.0 N A:ILE356 3.2 74.3 1.0 CA A:GLY149 3.3 65.5 1.0 CB A:SER107 3.3 85.6 1.0 N A:PHE357 3.6 78.1 1.0 C A:GLY355 3.7 74.1 1.0 CL A:CL466 3.8 55.0 1.0 CA A:SER107 3.9 85.7 1.0 CZ A:TYR445 3.9 88.2 1.0 N A:GLY149 4.0 67.1 1.0 CB A:PHE357 4.0 79.7 1.0 CD1 A:ILE109 4.2 80.1 1.0 N A:GLY355 4.3 70.2 1.0 CA A:PHE357 4.4 78.9 1.0 CA A:ILE356 4.4 75.9 1.0 C A:GLY149 4.4 64.8 1.0 C A:ILE356 4.4 76.7 1.0 CD A:PRO150 4.5 63.4 1.0 C A:SER107 4.6 86.3 1.0 CG1 A:ILE109 4.6 83.0 1.0 CE2 A:TYR445 4.7 86.9 1.0 CE1 A:TYR445 4.7 86.8 1.0 N A:PRO150 4.8 65.0 1.0 CG2 A:ILE356 4.8 76.8 1.0 O A:GLY355 4.8 76.4 1.0 O A:SER107 5.0 86.9 1.0

Chlorine binding site 3 out of 6 in the Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl468 b:75.0 occ:1.00 N A:SER107 3.0 84.2 1.0 CG A:PRO110 3.4 89.0 1.0 N A:GLY108 3.5 86.6 1.0 CD A:PRO110 3.5 90.2 1.0 C A:GLY106 3.5 84.7 1.0 CA A:GLY106 3.7 86.6 1.0 CB A:SER107 3.7 85.6 1.0 CA A:SER107 3.7 85.7 1.0 O A:GLY105 3.9 95.0 1.0 C A:SER107 4.0 86.3 1.0 CG2 A:ILE448 4.2 85.7 1.0 CB A:PRO110 4.3 87.8 1.0 CA A:GLY108 4.4 85.8 1.0 OG A:SER107 4.4 85.2 1.0 O A:GLY106 4.5 83.2 1.0 CZ A:PHE348 4.5 81.3 1.0 CD1 A:ILE448 4.5 83.2 1.0 N A:GLY106 4.7 90.5 1.0 C A:GLY105 4.7 92.0 1.0 CE1 A:PHE348 4.9 81.7 1.0 N A:PRO110 4.9 89.6 1.0

Chlorine binding site 4 out of 6 in the Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl466 b:55.0 occ:1.00 N B:GLY149 2.9 66.4 1.0 N B:GLN148 3.0 56.1 1.0 CA B:GLY146 3.2 70.0 1.0 C B:GLY146 3.3 68.7 1.0 CB B:GLN148 3.3 59.1 1.0 N B:ARG147 3.3 67.4 1.0 CA B:GLN148 3.5 60.1 1.0 CG B:GLN148 3.5 59.1 1.0 N B:ALA358 3.5 79.0 1.0 C B:GLN148 3.6 63.9 1.0 N B:PHE357 3.7 78.0 1.0 CB B:PHE357 3.7 78.7 1.0 CL B:CL467 3.7 65.0 1.0 CD B:PRO150 3.8 58.1 1.0 CA B:GLY149 3.8 64.2 1.0 CA B:GLY355 3.8 73.0 1.0 C B:GLY355 3.9 70.5 1.0 N B:GLY146 3.9 71.9 1.0 C B:ARG147 3.9 59.2 1.0 O B:GLY146 4.0 68.7 1.0 CA B:PHE357 4.1 78.6 1.0 CB B:ALA358 4.1 75.1 1.0 O B:GLY355 4.1 67.3 1.0 CA B:ARG147 4.2 63.6 1.0 N B:GLY355 4.2 76.0 1.0 N B:ILE356 4.3 69.3 1.0 C B:PHE357 4.3 79.2 1.0 CA B:ALA358 4.4 78.5 1.0 CD B:PRO359 4.6 79.8 1.0 N B:PRO150 4.7 60.9 1.0 O B:GLN148 4.7 67.8 1.0 C B:ILE356 4.7 76.0 1.0 C B:GLY149 4.7 63.2 1.0 CD B:GLN148 4.8 59.1 1.0 O B:ARG147 4.9 56.7 1.0 CG B:PRO150 5.0 59.3 1.0 CA B:ILE356 5.0 72.7 1.0 CG B:PHE357 5.0 80.0 1.0

Chlorine binding site 5 out of 6 in the Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl467 b:65.0 occ:1.00 OH B:TYR445 2.7 63.5 1.0 CA B:GLY149 3.1 64.2 1.0 CA B:GLY355 3.2 73.0 1.0 N B:ILE356 3.3 69.3 1.0 N B:PHE357 3.4 78.0 1.0 CB B:PHE357 3.6 78.7 1.0 C B:GLY355 3.7 70.5 1.0 N B:GLY149 3.7 66.4 1.0 CL B:CL466 3.7 55.0 1.0 OG B:SER107 3.7 82.6 1.0 CB B:SER107 3.8 83.9 1.0 CZ B:TYR445 4.0 68.8 1.0 CA B:PHE357 4.0 78.6 1.0 CD1 B:ILE109 4.1 75.2 1.0 C B:ILE356 4.3 76.0 1.0 C B:GLY149 4.3 63.2 1.0 CA B:SER107 4.3 83.4 1.0 CA B:ILE356 4.4 72.7 1.0 N B:GLY355 4.4 76.0 1.0 CD B:PRO150 4.4 58.1 1.0 CG1 B:ILE109 4.6 74.6 1.0 CE2 B:TYR445 4.7 70.2 1.0 N B:PRO150 4.7 60.9 1.0 CG B:PHE357 4.8 80.0 1.0 O B:GLY355 4.8 67.3 1.0 CE1 B:TYR445 4.9 67.2 1.0 CG2 B:ILE356 4.9 66.7 1.0 CD1 B:PHE357 5.0 80.3 1.0 C B:SER107 5.0 83.2 1.0

Chlorine binding site 6 out of 6 in the Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Escherichia Coli Clc Chloride Channel E148Q Mutant and Fab Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl468 b:75.0 occ:1.00 N B:SER107 3.0 83.8 1.0 CZ B:PHE348 3.4 41.7 1.0 CD1 B:ILE448 3.4 64.4 1.0 CG B:PRO110 3.6 78.9 1.0 CB B:SER107 3.6 83.9 1.0 CA B:GLY106 3.7 84.0 1.0 C B:GLY106 3.8 83.8 1.0 CA B:SER107 3.9 83.4 1.0 CG2 B:ILE448 4.0 69.2 1.0 CE1 B:PHE348 4.0 39.8 1.0 CD B:PRO110 4.1 78.6 1.0 CE2 B:PHE348 4.2 40.8 1.0 N B:GLY108 4.4 82.7 1.0 CG1 B:ILE448 4.6 66.9 1.0 OG B:SER107 4.6 82.6 1.0 O B:GLY105 4.7 81.5 1.0 C B:SER107 4.7 83.2 1.0 CB B:PRO110 4.7 77.6 1.0 CB B:ILE448 4.8 70.6 1.0 O B:GLY106 5.0 82.2 1.0 N B:GLY106 5.0 84.1 1.0

R.Dutzler, E.B.Campbell, R.Mackinnon. Gating the Selectivity Filter in Clc Chloride Channels Science V. 300 108 2003.
ISSN: ISSN 0036-8075
PubMed: 12649487
DOI: 10.1126/SCIENCE.1082708