Fluorine 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:

Bromine	(Br)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Fluorine 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 Fluorine atom.
In total only one binding site of Fluorine was determined in the Fluoride Channel Fluc-EC2 Mutant S81T with Bromide, PDB code: 7kk8:

Fluorine binding site 1 out of 1 in the Fluoride Channel Fluc-EC2 Mutant S81T with Bromide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fluoride Channel Fluc-EC2 Mutant S81T with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ B:F202 b:65.5 occ:1.00 OG B:SER110 2.8 74.8 1.0 CG2 A:THR81 3.1 62.5 1.0 O B:ASN41 3.1 60.1 1.0 CA B:GLY45 3.5 60.8 1.0 N B:GLY45 3.5 59.9 1.0 CD2 A:PHE80 3.5 59.1 1.0 CA A:THR81 3.6 63.0 1.0 N A:THR81 3.7 58.8 1.0 CB B:SER110 3.7 61.8 1.0 C B:ASN41 3.9 55.1 1.0 CB A:THR81 4.0 63.5 1.0 C A:PHE80 4.0 60.6 1.0 CB A:PHE80 4.0 55.8 1.0 CA B:ASN41 4.1 60.2 1.0 CG A:PHE80 4.3 59.6 1.0 O A:PHE80 4.3 58.4 1.0 CB B:ASN41 4.3 56.9 1.0 C B:ALA44 4.3 58.6 1.0 CB A:SER84 4.4 56.5 1.0 CE2 A:PHE80 4.5 61.6 1.0 CB B:SER78 4.5 56.5 1.0 OG A:SER84 4.5 62.6 1.0 CA A:PHE80 4.7 57.1 1.0 CA B:SER110 4.7 59.3 1.0 CG B:ASN41 4.8 62.8 1.0 O B:ALA44 4.8 61.6 1.0 CB B:ALA44 4.9 55.2 1.0 OD1 B:ASN41 4.9 64.1 1.0 C A:THR81 5.0 58.8 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