Fluorine in PDB 7xqx: Crystal Structure of T2R-Ttl-27A Complex

The structure of Crystal Structure of T2R-Ttl-27A Complex, PDB code: 7xqx was solved by T.Lun, C.Y.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.19 / 3.36
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.386, 157.49, 180.668, 90, 90, 90
R / Rfree (%)	19.7 / 24.5

The structure of Crystal Structure of T2R-Ttl-27A Complex also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Calcium	(Ca)	2 atoms
Magnesium	(Mg)	3 atoms

The binding sites of Fluorine atom in the Crystal Structure of T2R-Ttl-27A Complex (pdb code 7xqx). 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 T2R-Ttl-27A Complex, PDB code: 7xqx:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of T2R-Ttl-27A Complex


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 T2R-Ttl-27A Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F505 b:52.5 occ:1.00 F22 B:GXI505 0.0 52.5 1.0 C02 B:GXI505 1.3 51.4 1.0 C03 B:GXI505 2.4 48.2 1.0 C01 B:GXI505 2.4 57.4 1.0 O B:ALA315 2.8 51.9 1.0 C B:ALA315 2.9 40.9 1.0 N B:ALA315 2.9 57.0 1.0 CG1 B:ILE316 3.2 53.2 1.0 CD1 B:ILE316 3.2 46.1 1.0 N B:ILE316 3.3 38.8 1.0 CA B:ALA315 3.4 43.3 1.0 C B:ALA314 3.6 45.3 1.0 C06 B:GXI505 3.6 47.0 1.0 N B:ALA352 3.7 42.6 1.0 C04 B:GXI505 3.7 53.2 1.0 CA B:ILE316 3.7 38.0 1.0 CB B:ALA352 3.8 41.6 1.0 CB B:ALA314 3.8 36.4 1.0 O B:LYS350 4.0 49.3 1.0 CA B:ALA314 4.0 32.5 1.0 CB B:ILE316 4.0 36.6 1.0 C05 B:GXI505 4.1 39.5 1.0 CA B:ALA352 4.3 40.0 1.0 C B:THR351 4.3 54.2 1.0 O B:ALA314 4.3 50.1 1.0 CA B:THR351 4.4 36.0 1.0 SG B:CYS239 4.7 40.5 1.0 CB B:ALA315 4.7 32.3 1.0 C B:LYS350 4.7 46.6 1.0 N07 B:GXI505 4.8 50.6 1.0 O B:ALA352 4.8 34.4 1.0 N B:THR351 4.9 56.4 1.0 CG2 B:ILE316 4.9 41.8 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of T2R-Ttl-27A Complex


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 T2R-Ttl-27A Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:F502 b:84.2 occ:1.00 F22 D:GXI502 0.0 84.2 1.0 C02 D:GXI502 1.3 59.9 1.0 O D:ALA315 2.2 53.3 1.0 C01 D:GXI502 2.4 70.8 1.0 C03 D:GXI502 2.4 62.6 1.0 C D:ALA315 2.9 46.7 1.0 N D:ALA352 3.0 61.1 1.0 CB D:ALA352 3.2 54.5 1.0 N D:ALA315 3.4 60.4 1.0 CG1 D:ILE316 3.4 59.0 1.0 N D:ILE316 3.5 50.4 1.0 CA D:ALA352 3.6 56.1 1.0 C06 D:GXI502 3.6 71.9 1.0 CA D:ILE316 3.7 54.0 1.0 C04 D:GXI502 3.7 77.8 1.0 CA D:ALA315 3.8 44.1 1.0 C D:THR351 3.8 56.4 1.0 O D:LYS350 4.0 53.1 1.0 CA D:THR351 4.0 44.3 1.0 O D:ALA352 4.1 58.0 1.0 C D:ALA314 4.1 58.3 1.0 CB D:ILE316 4.1 53.7 1.0 C05 D:GXI502 4.2 72.4 1.0 CD1 D:ILE316 4.3 62.7 1.0 C D:ALA352 4.3 49.5 1.0 CB D:ALA314 4.4 54.3 1.0 CA D:ALA314 4.5 46.5 1.0 N D:THR351 4.6 52.3 1.0 C D:LYS350 4.6 57.5 1.0 SG D:CYS239 4.7 60.6 1.0 CG2 D:ILE316 4.8 47.5 1.0 N07 D:GXI502 4.8 85.3 1.0 CB D:ALA315 4.8 39.8 1.0 O D:THR351 4.8 60.3 1.0 O D:ALA314 4.9 54.2 1.0

T.Lun, W.Yuxi. Crystal Structure of T2R-Tt Complex To Be Published.