Bromine in PDB 7kka: Fluoride Channel Fluc-EC2 Mutant S81A with Bromide

The structure of Fluoride Channel Fluc-EC2 Mutant S81A with Bromide, PDB code: 7kka 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)	39.08 / 2.50
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	87.391, 87.391, 141.91, 90, 90, 90
R / Rfree (%)	24 / 25.2

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

Sodium	(Na)	1 atom
Fluorine	(F)	2 atoms

The binding sites of Bromine atom in the Fluoride Channel Fluc-EC2 Mutant S81A with Bromide (pdb code 7kka). 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 with Bromide, PDB code: 7kka:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Fluoride Channel Fluc-EC2 Mutant S81A 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 with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:145.6 occ:1.00 OG1 A:THR82 2.2 74.6 1.0 CB A:THR82 3.4 60.4 1.0 N A:THR82 3.5 56.7 1.0 O B:THR70 3.5 62.0 1.0 CA A:THR82 3.7 52.5 1.0 C B:THR70 3.8 61.2 1.0 OG1 A:THR79 4.0 58.2 1.0 CB A:ALA81 4.2 54.2 1.0 CG2 A:THR82 4.2 54.0 1.0 N B:GLY75 4.2 60.6 1.0 N B:THR71 4.2 62.3 1.0 C A:ALA81 4.2 54.6 1.0 CA B:THR71 4.3 61.2 1.0 CA B:GLY75 4.4 58.3 1.0 CD1 B:ILE48 4.5 66.0 1.0 CB B:CYS74 4.5 60.6 1.0 CA B:THR70 4.5 63.8 1.0 CB B:THR70 4.5 64.0 1.0 NH1 A:ARG19 4.7 68.3 1.0 C B:CYS74 4.8 61.4 1.0 CA A:ALA81 4.8 57.4 1.0 CG1 B:ILE48 4.9 62.2 1.0 O A:ALA81 4.9 50.9 1.0

Bromine binding site 2 out of 2 in the Fluoride Channel Fluc-EC2 Mutant S81A 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 with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br201 b:124.4 occ:1.00 OG1 B:THR82 2.1 87.3 1.0 OG1 B:THR79 3.3 59.2 1.0 CB B:THR82 3.4 66.2 1.0 NH1 B:ARG19 3.5 68.8 1.0 O A:THR70 3.5 70.4 1.0 CA A:GLY75 3.6 63.2 1.0 N A:GLY75 3.7 67.5 1.0 N B:THR82 3.8 62.7 1.0 CA A:THR71 4.1 71.8 1.0 CA B:THR82 4.1 57.6 1.0 C A:CYS74 4.2 61.4 1.0 C A:THR70 4.2 70.3 1.0 CB B:THR79 4.3 56.7 1.0 CZ B:ARG19 4.4 60.5 1.0 O A:THR71 4.5 67.8 1.0 O A:CYS74 4.5 60.9 1.0 CG2 B:THR82 4.5 48.3 1.0 N A:THR71 4.5 70.1 1.0 CB A:CYS74 4.6 65.0 1.0 O B:HOH309 4.6 56.2 1.0 C A:THR71 4.7 69.2 1.0 CB B:ALA81 4.7 60.9 1.0 C B:ALA81 4.8 61.4 1.0 CG2 B:THR79 4.8 53.5 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