Fluorine in PDB 6b2d: Crystal Structure of Fluoride Channel Fluc EC2 T114S Mutant

The structure of Crystal Structure of Fluoride Channel Fluc EC2 T114S Mutant, PDB code: 6b2d was solved by N.B.Last, S.Sun, M.C.Pham, C.Miller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.84 / 3.01
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	87.090, 87.090, 143.870, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 25.4

The structure of Crystal Structure of Fluoride Channel Fluc EC2 T114S Mutant also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Fluoride Channel Fluc EC2 T114S Mutant (pdb code 6b2d). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Fluoride Channel Fluc EC2 T114S Mutant, PDB code: 6b2d:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Fluoride Channel Fluc EC2 T114S Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Fluoride Channel Fluc EC2 T114S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:0.5 occ:1.00 O A:ASN41 2.8 0.0 1.0 OG A:SER110 2.9 0.6 1.0 CA B:SER81 3.3 96.1 1.0 N A:GLY45 3.4 0.3 1.0 N B:SER81 3.4 95.1 1.0 C B:PHE80 3.6 93.3 1.0 O B:PHE80 3.7 92.3 1.0 CA A:GLY45 3.7 0.9 1.0 C A:ASN41 3.8 0.8 1.0 CD1 B:PHE80 3.8 92.1 1.0 OG B:SER84 3.8 97.8 1.0 CB B:SER81 3.8 99.3 1.0 CB B:PHE80 3.9 92.1 1.0 CB A:ALA44 4.0 1.0 1.0 C A:ALA44 4.1 0.8 1.0 CB A:SER110 4.1 1.0 1.0 CA A:ASN41 4.1 0.7 1.0 CB A:SER78 4.3 97.8 1.0 CG B:PHE80 4.3 91.2 1.0 CB A:ASN41 4.4 0.2 1.0 CA B:PHE80 4.4 92.3 1.0 CB B:SER84 4.5 97.3 1.0 CA A:ALA44 4.6 0.3 1.0 C B:SER81 4.7 94.5 1.0 O A:ALA44 4.7 0.9 1.0 CE1 B:PHE80 4.8 92.3 1.0 N A:LEU42 4.9 0.5 1.0 CG A:ASN41 4.9 0.2 1.0 O B:SER81 5.0 93.7 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Fluoride Channel Fluc EC2 T114S Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Fluoride Channel Fluc EC2 T114S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:F204 b:0.6 occ:1.00 OG B:SER110 2.7 0.3 1.0 O B:ASN41 3.0 91.1 1.0 CA A:SER81 3.3 89.8 1.0 N A:SER81 3.4 89.5 1.0 C A:PHE80 3.5 88.0 1.0 O A:PHE80 3.5 87.6 1.0 OG A:SER84 3.5 95.2 1.0 N B:GLY45 3.5 90.4 1.0 CD1 A:PHE80 3.6 86.1 1.0 CA B:GLY45 3.8 89.0 1.0 CB B:SER110 3.8 99.7 1.0 C B:ASN41 3.9 92.3 1.0 CB A:SER81 3.9 91.1 1.0 CB A:PHE80 3.9 87.3 1.0 CB A:SER84 4.2 93.8 1.0 CG A:PHE80 4.2 86.3 1.0 CA B:ASN41 4.3 93.5 1.0 C B:ALA44 4.3 92.8 1.0 CB B:ALA44 4.3 93.0 1.0 CA A:PHE80 4.4 87.6 1.0 CB B:ASN41 4.5 92.8 1.0 CB B:SER78 4.5 96.9 1.0 C A:SER81 4.6 90.1 1.0 CE1 A:PHE80 4.6 86.9 1.0 CA B:ALA44 4.8 93.4 1.0 O A:SER81 4.9 90.6 1.0 CA B:SER110 4.9 98.6 1.0 O B:ALA44 4.9 95.6 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Fluoride Channel Fluc EC2 T114S Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Fluoride Channel Fluc EC2 T114S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:F202 b:0.7 occ:1.00 O B:HOH302 2.7 0.4 1.0 OE1 B:GLU86 2.8 0.3 1.0 NE2 B:HIS106 3.4 93.0 1.0 O B:HOH301 3.4 94.5 1.0 CD1 B:PHE83 3.5 91.6 1.0 CD2 B:HIS106 3.6 92.6 1.0 CB B:GLU86 3.6 99.4 1.0 O B:PHE83 3.6 93.3 1.0 CB B:SER102 3.8 95.2 1.0 CD B:GLU86 3.9 0.3 1.0 CA B:PHE83 4.0 92.6 1.0 CG2 B:VAL87 4.1 93.9 1.0 OG B:SER102 4.1 98.6 1.0 CE1 B:PHE83 4.1 92.7 1.0 CE1 B:HIS106 4.2 92.6 1.0 C B:PHE83 4.3 92.4 1.0 CG B:GLU86 4.4 0.4 1.0 CG B:PHE83 4.4 92.1 1.0 CB B:PHE83 4.5 92.3 1.0 CG B:HIS106 4.6 92.0 1.0 CD1 B:LEU33 4.6 0.5 1.0 N B:VAL87 4.6 96.4 1.0 CD B:PRO34 4.8 0.4 1.0 CA B:SER102 4.8 93.6 1.0 CA B:GLU86 4.8 97.5 1.0 ND1 B:HIS106 4.9 91.8 1.0 C B:GLU86 4.9 96.7 1.0 OE2 B:GLU86 5.0 1.0 1.0 O B:SER102 5.0 89.7 1.0

N.B.Last, S.Sun, M.C.Pham, C.Miller. Molecular Determinants of Permeation in A Fluoride-Specific Ion Channel. Elife V. 6 2017.
ISSN: ESSN 2050-084X
PubMed: 28952925
DOI: 10.7554/ELIFE.31259