Fluorine in PDB 7xr1: Crystal Structure of T2R-Ttl-3A Complex

The structure of Crystal Structure of T2R-Ttl-3A Complex, PDB code: 7xr1 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)	56.35 / 2.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.096, 157.528, 181.017, 90, 90, 90
R / Rfree (%)	20.3 / 24.6

The structure of Crystal Structure of T2R-Ttl-3A 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-3A Complex (pdb code 7xr1). 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-3A Complex, PDB code: 7xr1:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of T2R-Ttl-3A 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-3A Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F505 b:43.6 occ:1.00 F22 B:GY2505 0.0 43.6 1.0 C01 B:GY2505 1.4 39.0 1.0 C06 B:GY2505 2.4 35.0 1.0 C02 B:GY2505 2.4 37.8 1.0 O B:LYS350 2.9 33.0 1.0 C B:LYS350 2.9 40.3 1.0 N B:THR351 3.0 38.3 1.0 C B:THR351 3.3 33.3 1.0 CA B:THR351 3.3 37.1 1.0 CB B:LYS350 3.4 33.5 1.0 N B:ALA352 3.6 32.5 1.0 O B:THR351 3.6 38.8 1.0 C03 B:GY2505 3.7 41.8 1.0 C05 B:GY2505 3.7 35.1 1.0 O B:ALA315 3.7 43.2 1.0 CA B:LYS350 3.7 35.9 1.0 N B:ALA315 4.0 38.3 1.0 CB B:ALA352 4.0 31.4 1.0 CB B:ALA314 4.1 33.4 1.0 C04 B:GY2505 4.2 35.2 1.0 CA B:ALA314 4.3 30.2 1.0 CA B:ALA352 4.4 30.5 1.0 CG B:LYS350 4.4 43.9 1.0 C B:ALA314 4.6 34.7 1.0 CD2 B:LEU246 4.6 48.7 1.0 C B:ALA315 4.7 36.7 1.0 C18 B:GY2505 4.7 33.4 1.0 N B:LYS350 4.7 29.8 1.0 C13 B:GY2505 4.8 28.4 1.0 CB B:THR351 4.8 33.4 1.0 C10 B:GY2505 4.9 32.2 1.0 C17 B:GY2505 4.9 35.8 1.0 CA B:ALA315 5.0 28.0 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of T2R-Ttl-3A 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-3A Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:F502 b:41.3 occ:1.00 F22 D:GY2502 0.0 41.3 1.0 C01 D:GY2502 1.4 46.7 1.0 C06 D:GY2502 2.4 43.6 1.0 C02 D:GY2502 2.4 43.8 1.0 N D:THR351 3.0 43.2 1.0 C D:LYS350 3.0 38.3 1.0 CB D:LYS350 3.1 39.0 1.0 O D:LYS350 3.2 38.2 1.0 C D:THR351 3.2 39.8 1.0 N D:ALA352 3.3 38.1 1.0 CA D:THR351 3.4 35.3 1.0 CA D:LYS350 3.7 37.6 1.0 C05 D:GY2502 3.7 50.6 1.0 C03 D:GY2502 3.7 47.7 1.0 O D:THR351 3.8 50.2 1.0 O D:ALA315 3.9 41.4 1.0 C04 D:GY2502 4.2 50.2 1.0 CB D:ALA352 4.2 37.2 1.0 CB D:ALA314 4.3 36.1 1.0 CA D:ALA352 4.3 40.3 1.0 CG D:LYS350 4.3 38.6 1.0 N D:ALA315 4.4 43.2 1.0 CA D:ALA314 4.5 31.6 1.0 N D:LYS350 4.7 38.3 1.0 C14 D:GY2502 4.7 41.9 1.0 C13 D:GY2502 4.8 39.1 1.0 C10 D:GY2502 4.8 52.0 1.0 CB D:THR351 4.9 33.8 1.0 C D:ALA314 4.9 39.0 1.0 C D:ALA315 5.0 43.6 1.0

T.Lun, W.Chengyong. Crystal Structure of T2R-Ttl-3A Complex To Be Published.