Bromine in PDB 7kkr: Fluoride Channel Fluc-EC2 Wild-Type with Bromide

The structure of Fluoride Channel Fluc-EC2 Wild-Type with Bromide, PDB code: 7kkr 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)	34.42 / 3.11
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	87.62, 87.62, 143.99, 90, 90, 90
R / Rfree (%)	23.8 / 27.6

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

Sodium

(Na)

1 atom

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

Bromine binding site 1 out of 2 in the Fluoride Channel Fluc-EC2 Wild-Type 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 Wild-Type with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:81.2 occ:1.00 OG A:SER81 2.7 51.2 1.0 OG1 A:THR82 3.0 41.1 1.0 N A:THR82 3.5 35.0 1.0 O B:THR70 3.6 46.7 1.0 CB A:SER81 3.6 36.8 1.0 C B:THR70 3.8 40.8 1.0 CA A:THR82 3.8 39.2 1.0 C A:SER81 3.9 35.7 1.0 CG1 B:ILE48 4.0 28.3 1.0 CD1 B:ILE48 4.0 32.3 1.0 CB A:THR82 4.0 38.0 1.0 CB B:CYS74 4.0 43.6 1.0 CB B:THR70 4.1 46.0 1.0 CA B:THR70 4.1 42.8 1.0 N B:GLY75 4.3 36.6 1.0 CA A:SER81 4.4 36.4 1.0 N B:THR71 4.5 38.2 1.0 O A:SER81 4.5 33.8 1.0 CG2 A:THR82 4.6 31.8 1.0 OG1 A:THR79 4.6 36.0 1.0 C B:CYS74 4.7 42.5 1.0 CA B:GLY75 4.8 36.7 1.0 CB B:ILE48 4.8 29.0 1.0 CA B:THR71 4.9 40.8 1.0 CG2 B:THR70 5.0 36.8 1.0

Bromine binding site 2 out of 2 in the Fluoride Channel Fluc-EC2 Wild-Type 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 Wild-Type with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br402 b:83.1 occ:1.00 OG1 B:THR82 2.5 54.9 1.0 OG B:SER81 3.2 39.5 1.0 N B:THR82 3.4 37.4 1.0 O A:THR70 3.5 50.0 1.0 CA B:THR82 3.6 41.5 1.0 CB B:THR82 3.6 43.2 1.0 C A:THR70 3.8 50.7 1.0 CD1 A:ILE48 3.8 32.1 1.0 CB A:CYS74 3.9 45.6 1.0 CB B:SER81 3.9 43.8 1.0 CG1 A:ILE48 4.0 32.6 1.0 C B:SER81 4.0 42.8 1.0 CA A:THR70 4.2 51.5 1.0 CB A:THR70 4.3 45.2 1.0 N A:THR71 4.4 46.9 1.0 N A:GLY75 4.4 44.1 1.0 CA B:SER81 4.6 43.2 1.0 CG2 B:THR82 4.6 34.8 1.0 O B:SER81 4.6 40.4 1.0 CA A:THR71 4.7 46.2 1.0 OG1 B:THR79 4.8 41.9 1.0 CB A:ILE48 4.8 35.2 1.0 C A:CYS74 4.8 43.8 1.0 CA A:GLY75 4.9 42.6 1.0 CA A:CYS74 5.0 47.1 1.0 CG2 A:THR70 5.0 44.1 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