Fluorine in PDB 5a43: Crystal Structure of A Dual Topology Fluoride Ion Channel.

The structure of Crystal Structure of A Dual Topology Fluoride Ion Channel., PDB code: 5a43 was solved by R.B.Stockbridge, L.Kolmakova-Partensky, T.Shane, A.Koide, S.Koide, C.Miller, S.Newstead, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.246 / 2.58
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	87.420, 87.420, 146.810, 90.00, 90.00, 90.00
R / Rfree (%)	22.35 / 26.42

The structure of Crystal Structure of A Dual Topology Fluoride Ion Channel. also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of A Dual Topology Fluoride Ion Channel. (pdb code 5a43). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of A Dual Topology Fluoride Ion Channel., PDB code: 5a43:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of A Dual Topology Fluoride Ion Channel.


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 A Dual Topology Fluoride Ion Channel. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1126 b:50.6 occ:1.00 O B:ASN41 2.5 49.6 1.0 OG B:SER110 2.8 60.6 1.0 N B:GLY45 3.3 49.1 1.0 CA A:SER81 3.5 54.1 1.0 N A:SER81 3.5 53.2 1.0 C B:ASN41 3.5 54.0 1.0 CA B:GLY45 3.5 50.5 1.0 C A:PHE80 3.7 55.9 1.0 CD1 A:PHE80 3.8 49.9 1.0 CB B:SER110 3.9 58.1 1.0 CB A:PHE80 3.9 49.7 1.0 CA B:ASN41 3.9 49.7 1.0 CB A:SER81 3.9 48.4 1.0 O A:PHE80 4.0 59.2 1.0 OG A:SER84 4.0 64.4 1.0 C B:ALA44 4.0 47.9 1.0 CB B:ALA44 4.2 45.2 1.0 CB B:ASN41 4.3 46.3 1.0 CG A:PHE80 4.3 53.2 1.0 CB A:SER84 4.4 56.4 1.0 CA A:PHE80 4.5 49.8 1.0 CB B:SER78 4.6 47.1 1.0 CA B:ALA44 4.6 49.5 1.0 N B:LEU42 4.7 44.3 1.0 O B:ALA44 4.7 51.4 1.0 CG B:ASN41 4.8 54.8 1.0 C A:SER81 4.8 52.7 1.0 CE1 A:PHE80 4.8 50.4 1.0 CA B:SER110 4.9 58.0 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of A Dual Topology Fluoride Ion Channel.


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 A Dual Topology Fluoride Ion Channel. within 5.0Å range: probe atom residue distance (Å) B Occ B:F1128 b:61.6 occ:1.00 O A:ASN41 2.6 56.0 1.0 OG A:SER110 2.9 68.7 1.0 CA B:SER81 3.2 53.9 1.0 N B:SER81 3.2 49.4 1.0 N A:GLY45 3.4 60.7 1.0 CB B:SER81 3.5 56.4 1.0 C B:PHE80 3.6 56.0 1.0 CA A:GLY45 3.6 58.2 1.0 C A:ASN41 3.6 60.2 1.0 CD1 B:PHE80 3.7 52.1 1.0 CB B:PHE80 3.8 54.5 1.0 O B:PHE80 4.0 57.1 1.0 CA A:ASN41 4.0 58.0 1.0 CB A:ALA44 4.0 60.4 1.0 C A:ALA44 4.1 60.2 1.0 CB A:SER110 4.2 67.5 1.0 CB B:SER84 4.2 50.4 1.0 CG B:PHE80 4.2 52.3 1.0 CB A:SER78 4.3 48.9 1.0 CA B:PHE80 4.3 50.8 1.0 CB A:ASN41 4.4 53.4 1.0 OG B:SER84 4.5 66.9 1.0 CA A:ALA44 4.5 60.6 1.0 C B:SER81 4.6 56.9 1.0 O A:ALA44 4.7 62.4 1.0 OD1 A:ASN41 4.7 58.9 1.0 OG B:SER81 4.8 56.6 1.0 N A:LEU42 4.8 53.9 1.0 CG A:ASN41 4.8 57.6 1.0 CE1 B:PHE80 4.8 54.5 1.0 N A:ALA44 4.9 59.7 1.0 OG A:SER78 5.0 49.5 1.0

R.B.Stockbridge, L.Kolmakova-Partensky, T.Shane, A.Koide, S.Koide, C.Miller, S.Newstead. Crystal Structures of A Double-Barrelled Fluoride Ion Channel. Nature V.525 548 2015.
ISSN: ISSN 0028-0836
PubMed: 26344196
DOI: 10.1038/NATURE14981