Bromine in PDB 7kk9: Fluoride Channel Fluc-EC2 Mutant S81A/T82A with Bromide

The structure of Fluoride Channel Fluc-EC2 Mutant S81A/T82A with Bromide, PDB code: 7kk9 was solved by B.C.Mcilwain, R.B.Stockbridge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.92 / 3.10
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	87.46, 87.46, 147.36, 90, 90, 90
R / Rfree (%)	23 / 25.2

The structure of Fluoride Channel Fluc-EC2 Mutant S81A/T82A with Bromide also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Bromine atom in the Fluoride Channel Fluc-EC2 Mutant S81A/T82A with Bromide (pdb code 7kk9). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Fluoride Channel Fluc-EC2 Mutant S81A/T82A with Bromide, PDB code: 7kk9:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Fluoride Channel Fluc-EC2 Mutant S81A/T82A with Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Fluoride Channel Fluc-EC2 Mutant S81A/T82A with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:112.8 occ:1.00 OG1 A:THR79 3.1 75.6 1.0 CA B:GLY75 3.5 74.2 1.0 O B:THR70 3.6 72.7 1.0 N A:ALA82 3.7 68.2 1.0 CB A:ALA82 3.8 63.4 1.0 NH1 A:ARG19 3.8 84.0 1.0 N B:GLY75 3.8 73.2 1.0 CB A:ALA81 4.1 72.8 1.0 CB A:THR79 4.2 69.2 1.0 CA A:ALA82 4.2 70.5 1.0 C B:THR70 4.2 70.6 1.0 CA B:THR71 4.3 72.2 1.0 C B:CYS74 4.4 72.7 1.0 N B:THR71 4.6 72.1 1.0 CZ A:ARG19 4.6 73.0 1.0 O B:CYS74 4.7 68.2 1.0 C A:ALA81 4.7 71.5 1.0 O B:THR71 4.7 73.3 1.0 CG2 A:THR79 4.7 69.0 1.0 C B:THR71 4.8 73.3 1.0 C B:GLY75 4.9 72.4 1.0 CD A:ARG19 4.9 68.5 1.0 OH D:TYR80 4.9 76.6 1.0 CA A:ALA81 4.9 73.2 1.0 CB B:CYS74 5.0 85.8 1.0

Bromine binding site 2 out of 2 in the Fluoride Channel Fluc-EC2 Mutant S81A/T82A with Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Fluoride Channel Fluc-EC2 Mutant S81A/T82A with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br201 b:135.7 occ:1.00 OG1 B:THR79 3.4 68.5 1.0 CB B:ALA82 3.5 80.9 1.0 O A:THR70 3.5 87.6 1.0 CA A:GLY75 3.7 77.7 1.0 NH1 B:ARG19 3.9 76.0 1.0 N B:ALA82 4.0 76.8 1.0 N A:GLY75 4.0 77.6 1.0 CA A:THR71 4.2 81.7 1.0 CB B:THR79 4.2 69.5 1.0 CA B:ALA82 4.2 75.8 1.0 C A:THR70 4.2 86.5 1.0 CG2 B:THR79 4.3 67.3 1.0 O A:THR71 4.5 74.9 1.0 N A:THR71 4.5 85.3 1.0 OH C:TYR80 4.5 78.9 1.0 CZ B:ARG19 4.6 72.1 1.0 CB B:ALA81 4.7 73.3 1.0 C A:THR71 4.7 83.7 1.0 C A:CYS74 4.8 77.3 1.0 CE1 C:TYR80 4.8 80.2 1.0 C B:ALA81 4.9 74.9 1.0

B.C.Mcilwain, R.Gundepudi, B.B.Koff, R.B.Stockbridge. The Fluoride Permeation Pathway and Anion Recognition in Fluc Family Fluoride Channels. Elife V. 10 2021.
ISSN: ESSN 2050-084X
PubMed: 34250906
DOI: 10.7554/ELIFE.69482