Fluorine in PDB 7kkb: Fluoride Channel Fluc-EC2 Mutant S81C with Bromide

Protein crystallography data

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

Other elements in 7kkb:

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

Fluorine Binding Sites:

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 7kkb

Go back to Fluorine Binding Sites List in 7kkb
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 7kkb

Go back to Fluorine Binding Sites List in 7kkb
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

Reference:

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
Page generated: Fri Aug 2 08:21:57 2024

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