Fluorine 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
Bromine	(Br)	2 atoms

The binding sites of Fluorine 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 Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Fluoride Channel Fluc-EC2 Mutant S81A with Bromide, PDB code: 7kka:
Jump to Fluorine binding site number: 1; 2;

Fluorine 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 Fluorine with other atoms in the F 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:F203 b:50.9 occ:1.00 OG B:SER110 2.6 66.5 1.0 O B:ASN41 2.9 50.0 1.0 O A:PHE80 3.3 52.7 1.0 C A:PHE80 3.3 57.2 1.0 CA A:ALA81 3.4 57.4 1.0 N A:ALA81 3.4 56.1 1.0 N B:GLY45 3.5 51.3 1.0 CA B:GLY45 3.6 53.2 1.0 CB B:SER110 3.7 62.8 1.0 CD1 A:PHE80 3.7 53.9 1.0 CB A:PHE80 3.7 50.3 1.0 C B:ASN41 3.9 53.8 1.0 CB A:ALA81 4.0 54.2 1.0 CB A:SER84 4.1 60.2 1.0 C B:ALA44 4.2 52.3 1.0 CA A:PHE80 4.2 55.2 1.0 CG A:PHE80 4.2 52.8 1.0 CA B:ASN41 4.2 58.7 1.0 OG A:SER84 4.3 58.5 1.0 CB B:SER78 4.4 52.3 1.0 CB B:ALA44 4.4 47.1 1.0 CB B:ASN41 4.5 49.5 1.0 C A:ALA81 4.6 54.6 1.0 CA B:SER110 4.7 58.1 1.0 O B:ALA44 4.7 52.5 1.0 CE1 A:PHE80 4.8 56.8 1.0 CA B:ALA44 4.8 52.6 1.0 O A:ALA81 4.9 50.9 1.0 CG B:ASN41 5.0 55.9 1.0 OG B:SER78 5.0 53.2 1.0

Fluorine 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 Fluorine with other atoms in the F 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:F202 b:60.4 occ:1.00 O A:ASN41 2.9 56.1 1.0 CA B:ALA81 3.0 59.2 1.0 OG A:SER110 3.1 63.6 1.0 N B:ALA81 3.1 55.5 1.0 C B:PHE80 3.2 53.0 1.0 O B:PHE80 3.3 53.5 1.0 CB B:ALA81 3.5 60.9 1.0 N A:GLY45 3.6 55.5 1.0 CB B:PHE80 3.7 51.3 1.0 CD1 B:PHE80 3.7 56.7 1.0 C A:ASN41 3.9 61.2 1.0 CA A:GLY45 3.9 56.1 1.0 OG B:SER84 4.0 74.2 1.0 CB A:ALA44 4.1 57.7 1.0 CA B:PHE80 4.1 55.6 1.0 CB A:SER78 4.1 53.4 1.0 CG B:PHE80 4.1 51.2 1.0 C A:ALA44 4.1 60.1 1.0 CA A:ASN41 4.2 57.5 1.0 CB A:SER110 4.2 60.3 1.0 CB B:SER84 4.3 60.2 1.0 C B:ALA81 4.3 61.4 1.0 CB A:ASN41 4.5 47.6 1.0 OG A:SER78 4.6 48.9 1.0 CA A:ALA44 4.6 58.7 1.0 O B:ALA81 4.7 54.7 1.0 O A:ALA44 4.7 57.4 1.0 CE1 B:PHE80 4.8 54.1 1.0 OD1 A:ASN41 4.9 54.3 1.0 N B:PHE80 5.0 48.7 1.0 CG A:ASN41 5.0 53.9 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