Bromine in PDB 7kkb: Fluoride Channel Fluc-EC2 Mutant S81C with Bromide

The structure of Fluoride Channel Fluc-EC2 Mutant S81C with Bromide, PDB code: 7kkb 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)	46.65 / 2.90
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	87.17, 87.17, 142.73, 90, 90, 90
R / Rfree (%)	22.1 / 25.9

The structure of Fluoride Channel Fluc-EC2 Mutant S81C with Bromide also contains other interesting chemical elements:

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

The binding sites of Bromine atom in the Fluoride Channel Fluc-EC2 Mutant S81C with Bromide (pdb code 7kkb). 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 S81C with Bromide, PDB code: 7kkb:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Fluoride Channel Fluc-EC2 Mutant S81C 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 S81C with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:113.2 occ:1.00 OG1 A:THR82 2.8 63.3 1.0 CD1 B:ILE48 3.4 81.6 1.0 CB A:THR82 3.7 43.8 1.0 CG1 B:ILE48 3.8 65.1 1.0 CA A:THR82 3.8 48.8 1.0 CB B:THR70 3.9 63.2 1.0 N A:THR82 4.0 51.3 1.0 CG2 A:THR82 4.0 36.0 1.0 O B:THR70 4.1 50.7 1.0 SG A:CYS81 4.1 54.6 1.0 C B:THR70 4.1 60.8 1.0 CA B:THR70 4.3 61.7 1.0 CG2 A:VAL85 4.5 37.1 1.0 N B:THR71 4.6 57.7 1.0 C A:CYS81 4.6 56.3 1.0 OG1 B:THR70 4.7 80.0 1.0 CG2 B:THR70 4.9 57.6 1.0 CE1 D:TYR80 4.9 45.8 1.0 CB A:CYS81 4.9 41.8 1.0

Bromine binding site 2 out of 2 in the Fluoride Channel Fluc-EC2 Mutant S81C 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 S81C with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br201 b:211.3 occ:1.00 OG1 B:THR82 2.7 70.1 1.0 O A:THR70 3.5 70.6 1.0 C A:THR70 3.6 76.4 1.0 CD1 A:ILE48 3.7 64.0 1.0 CB B:THR82 3.8 49.9 1.0 N A:THR71 3.8 80.5 1.0 CB A:THR70 3.9 61.2 1.0 CA A:THR71 4.1 73.3 1.0 CG2 B:THR82 4.1 33.5 1.0 CA A:THR70 4.2 70.6 1.0 CA B:THR82 4.2 56.7 1.0 SG B:CYS81 4.2 50.6 1.0 OG1 A:THR71 4.4 78.5 1.0 N B:THR82 4.4 63.4 1.0 OG1 A:THR70 4.4 59.5 1.0 CG1 A:ILE48 4.6 49.4 1.0 CE1 C:TYR80 4.8 54.9 1.0 CB A:THR71 4.9 72.0 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