Fluorine 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:

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

The binding sites of Fluorine 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 Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Fluoride Channel Fluc-EC2 Mutant S81C with Bromide, PDB code: 7kkb:
Jump to Fluorine binding site number: 1; 2;

Fluorine 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 Fluorine with other atoms in the F 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:F203 b:56.5 occ:1.00 OG B:SER110 2.7 64.4 1.0 O B:ASN41 3.0 65.4 1.0 CA A:CYS81 3.1 53.3 1.0 N A:CYS81 3.2 51.8 1.0 N B:GLY45 3.2 46.9 1.0 C A:PHE80 3.4 57.5 1.0 CA B:GLY45 3.5 37.2 1.0 O A:PHE80 3.5 59.9 1.0 CB A:CYS81 3.6 41.8 1.0 C B:ALA44 3.8 49.8 1.0 CD1 A:PHE80 3.9 52.9 1.0 OG A:SER84 3.9 73.3 1.0 CB B:ALA44 3.9 47.2 1.0 C B:ASN41 4.0 57.1 1.0 CB A:PHE80 4.0 51.6 1.0 CB B:SER110 4.0 56.0 1.0 CA B:ASN41 4.3 51.0 1.0 CB B:SER78 4.3 42.5 1.0 CA A:PHE80 4.3 51.8 1.0 CG A:PHE80 4.4 53.9 1.0 CA B:ALA44 4.4 57.2 1.0 C A:CYS81 4.5 56.3 1.0 O B:ALA44 4.5 53.9 1.0 CB A:SER84 4.5 74.7 1.0 CB B:ASN41 4.6 42.5 1.0 O A:CYS81 4.8 53.6 1.0 OG B:SER78 4.9 55.2 1.0 CA B:SER110 4.9 64.1 1.0 CE1 A:PHE80 4.9 51.2 1.0 N B:ALA44 5.0 58.4 1.0

Fluorine 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 Fluorine with other atoms in the F 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:F202 b:70.3 occ:1.00 OG A:SER110 2.7 69.6 1.0 O A:ASN41 3.0 76.3 1.0 N A:GLY45 3.0 47.0 1.0 CA B:CYS81 3.0 56.8 1.0 N B:CYS81 3.2 51.5 1.0 CA A:GLY45 3.3 50.7 1.0 O B:PHE80 3.3 62.6 1.0 C B:PHE80 3.4 62.4 1.0 CB B:CYS81 3.4 58.1 1.0 OG B:SER84 3.6 85.8 1.0 C A:ALA44 3.7 56.9 1.0 CB A:ALA44 4.0 59.0 1.0 CB A:SER110 4.0 70.8 1.0 C A:ASN41 4.0 61.5 1.0 CD1 B:PHE80 4.0 70.9 1.0 CB B:PHE80 4.1 61.3 1.0 CB B:SER84 4.2 86.3 1.0 O A:ALA44 4.3 55.0 1.0 C B:CYS81 4.4 64.0 1.0 CA A:ALA44 4.4 64.5 1.0 CA B:PHE80 4.4 60.5 1.0 CA A:ASN41 4.4 48.4 1.0 CG B:PHE80 4.6 62.2 1.0 CB A:SER78 4.6 63.2 1.0 O B:CYS81 4.7 71.8 1.0 C A:GLY45 4.8 64.5 1.0 CB A:ASN41 4.8 45.3 1.0 CA A:SER110 4.9 74.2 1.0 N A:ALA44 4.9 66.7 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