Bromine in the structure of Structure of the Escherichia Coli Clc Chloride Channel Y445F Mutant and Fab Complex (pdb 2htl)

The binding sites of Bromine atom in the structure of Structure of the Escherichia Coli Clc Chloride Channel Y445F Mutant and Fab Complex (pdb code 2htl). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 2htl structure was solved by A.ACCARDI, S.LOBET, C.WILLIAMS, C.MILLER, R.DUTZLER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-3.4 Space group C121 a (A) 232.525 b (A) 98.860 c (A) 171.804 alpha (°) 90.00 beta (°) 131.54 gamma (°) 90.00 Rfactor (%) 25.9 Rfree (%) 30.2 Bromine Binding Sites: Bromine binding site 1 out of 4 in 2htl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2htl. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Ser107, A: Ile109, A: Glu148, A: Gly149, A: Gly355, A: Ile356, A: Phe357, A: Phe445, conact list: Atom Atom Distance (A) Br CB A:Ser107 4.50 Br OG A:Ser107 3.26 Br CB A:Ile109 4.48 Br CD1 A:Ile109 3.25 Br CG1 A:Ile109 3.52 Br OE1 A:Glu148 3.92 Br CB A:Glu148 4.03 Br CD A:Glu148 4.75 Br C A:Glu148 4.45 Br CG A:Glu148 4.72 Br CA A:Glu148 4.90 Br N A:Gly149 3.85 Br CA A:Gly149 4.13 Br N A:Gly355 4.96 Br C A:Gly355 4.36 Br CA A:Gly355 3.73 Br N A:Ile356 3.88 Br CG2 A:Ile356 4.82 Br C A:Ile356 4.98 Br CA A:Ile356 4.99 Br N A:Phe357 3.99 Br CB A:Phe357 3.79 Br CD1 A:Phe357 3.29 Br CE1 A:Phe357 4.25 Br CG A:Phe357 3.97 Br CA A:Phe357 4.47 Br CE2 A:Phe445 4.33 Br CZ A:Phe445 3.54 Br CE1 A:Phe445 4.39 interactive model: Bromine binding site 2 out of 4 in 2htl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 2htl. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Gly105, A: Gly106, A: Ser107, A: Gly108, A: Pro110, A: Phe348, A: Ile448, conact list: Atom Atom Distance (A) Br O A:Gly105 4.45 Br C A:Gly106 4.24 Br CA A:Gly106 4.42 Br N A:Ser107 3.23 Br CB A:Ser107 3.44 Br OG A:Ser107 4.62 Br C A:Ser107 4.26 Br CA A:Ser107 3.79 Br N A:Gly108 3.72 Br CA A:Gly108 4.80 Br N A:Pro110 4.57 Br CB A:Pro110 3.85 Br CD A:Pro110 3.19 Br CG A:Pro110 2.74 Br CA A:Pro110 4.96 Br CZ A:Phe348 4.51 Br CE1 A:Phe348 4.88 Br CD1 A:Ile448 4.51 Br CG2 A:Ile448 4.37 interactive model: Bromine binding site 3 out of 4 in 2htl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 2htl. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Ser107, B: Ile109, B: Glu148, B: Gly149, B: Gly355, B: Ile356, B: Phe357, B: Phe445, conact list: Atom Atom Distance (A) Br CB B:Ser107 4.40 Br OG B:Ser107 3.55 Br CB B:Ile109 4.60 Br CD1 B:Ile109 3.12 Br CG1 B:Ile109 3.72 Br O B:Glu148 4.83 Br OE1 B:Glu148 4.06 Br CB B:Glu148 3.70 Br CD B:Glu148 4.72 Br C B:Glu148 4.10 Br CG B:Glu148 4.51 Br CA B:Glu148 4.56 Br N B:Gly149 3.38 Br CA B:Gly149 3.69 Br N B:Gly355 4.46 Br C B:Gly355 4.00 Br CA B:Gly355 3.26 Br N B:Ile356 3.67 Br CG2 B:Ile356 4.86 Br C B:Ile356 4.96 Br CA B:Ile356 4.86 Br N B:Phe357 4.00 Br CB B:Phe357 3.98 Br CD1 B:Phe357 3.76 Br CE1 B:Phe357 4.75 Br CG B:Phe357 4.30 Br CA B:Phe357 4.60 Br CE2 B:Phe445 4.75 Br CZ B:Phe445 3.83 Br CE1 B:Phe445 4.52 interactive model: Bromine binding site 4 out of 4 in 2htl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 2htl. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Gly105, B: Gly106, B: Ser107, B: Gly108, B: Pro110, B: Phe348, B: Ile448, conact list: Atom Atom Distance (A) Br O B:Gly105 4.69 Br C B:Gly106 4.05 Br CA B:Gly106 4.36 Br N B:Ser107 2.94 Br CB B:Ser107 2.80 Br OG B:Ser107 3.80 Br C B:Ser107 4.01 Br CA B:Ser107 3.35 Br N B:Gly108 3.62 Br CA B:Gly108 4.82 Br N B:Pro110 4.62 Br CB B:Pro110 4.15 Br CD B:Pro110 3.17 Br CG B:Pro110 2.83 Br CE2 B:Phe348 4.53 Br CZ B:Phe348 3.53 Br CE1 B:Phe348 4.02 Br CG2 B:Ile448 4.36 interactive model: