Bromine in PDB 7kk8: Fluoride Channel Fluc-EC2 Mutant S81T with Bromide

The structure of Fluoride Channel Fluc-EC2 Mutant S81T with Bromide, PDB code: 7kk8 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)	28.44 / 2.70
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	87.06, 87.06, 143.15, 90, 90, 90
R / Rfree (%)	21.7 / 25.6

The structure of Fluoride Channel Fluc-EC2 Mutant S81T with Bromide also contains other interesting chemical elements:

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

The binding sites of Bromine atom in the Fluoride Channel Fluc-EC2 Mutant S81T with Bromide (pdb code 7kk8). 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 S81T with Bromide, PDB code: 7kk8:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Fluoride Channel Fluc-EC2 Mutant S81T 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 S81T with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:107.7 occ:1.00 OG1 A:THR82 3.2 60.8 1.0 O B:THR70 3.9 69.2 1.0 CB B:THR70 3.9 62.8 1.0 CB A:THR82 4.0 60.7 1.0 CA A:THR82 4.0 59.1 1.0 C B:THR70 4.0 65.6 1.0 OG1 A:THR81 4.1 75.3 1.0 N A:THR82 4.1 55.7 1.0 CG2 A:THR82 4.1 59.2 1.0 CD1 B:ILE48 4.1 56.3 1.0 CG1 B:ILE48 4.3 50.4 1.0 CA B:THR70 4.3 61.0 1.0 N B:THR71 4.5 62.8 1.0 C A:THR81 4.5 58.8 1.0 OG1 B:THR70 4.6 61.6 1.0 CB A:THR81 4.6 63.5 1.0 CD1 D:LEU83 4.9 65.6 1.0 O A:THR81 4.9 61.6 1.0 CB B:CYS74 4.9 62.3 1.0 CG2 B:THR70 5.0 64.6 1.0 CA B:THR71 5.0 61.6 1.0

Bromine binding site 2 out of 2 in the Fluoride Channel Fluc-EC2 Mutant S81T 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 S81T with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br201 b:122.9 occ:1.00 OG1 B:THR82 3.2 68.6 1.0 OG1 B:THR81 3.5 67.5 1.0 N B:THR82 3.7 60.3 1.0 O A:THR70 3.8 74.8 1.0 CA B:THR82 3.8 62.4 1.0 C A:THR70 3.9 69.6 1.0 CB B:THR82 3.9 65.1 1.0 CD1 A:ILE48 4.0 61.6 1.0 CB B:THR81 4.1 63.8 1.0 C B:THR81 4.2 65.2 1.0 CB A:THR70 4.2 66.6 1.0 CG1 A:ILE48 4.2 57.6 1.0 N A:THR71 4.3 66.6 1.0 CA A:THR70 4.3 67.2 1.0 CG2 B:THR82 4.3 52.2 1.0 CB A:CYS74 4.4 64.3 1.0 CA A:THR71 4.6 66.0 1.0 O B:THR81 4.7 65.3 1.0 CG2 B:VAL85 4.7 59.6 1.0 CA B:THR81 4.8 63.0 1.0 CG2 B:THR79 4.9 66.4 1.0 N A:GLY75 4.9 67.8 1.0 OG1 A:THR70 5.0 69.1 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