Chlorine 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:

Calcium	(Ca)	2 atoms
Magnesium	(Mg)	3 atoms
Fluorine	(F)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of T2R-Ttl-3A Complex (pdb code 7xr1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of T2R-Ttl-3A Complex, PDB code: 7xr1:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of T2R-Ttl-3A Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of T2R-Ttl-3A Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:77.0 occ:1.00 N A:GLY162 3.2 43.6 1.0 N A:LYS163 3.2 51.6 1.0 CD A:LYS164 3.3 61.3 1.0 C A:TYR161 3.3 49.7 1.0 CA A:TYR161 3.5 41.5 1.0 CE A:LYS164 3.6 60.9 1.0 CB A:LYS163 3.8 60.7 1.0 O A:TYR161 3.9 57.3 1.0 CA A:LYS163 4.0 60.5 1.0 CG A:LYS163 4.1 62.3 1.0 C A:GLY162 4.2 49.7 1.0 CA A:GLY162 4.2 48.4 1.0 CB A:TYR161 4.4 36.8 1.0 N A:LYS164 4.4 61.6 1.0 N A:TYR161 4.5 52.9 1.0 C A:LYS163 4.6 57.8 1.0 CG A:LYS164 4.8 53.9 1.0 NZ A:LYS164 4.8 61.3 1.0 O A:ASP160 4.8 51.0 1.0 CD A:LYS163 4.8 76.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of T2R-Ttl-3A Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of T2R-Ttl-3A Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:138.6 occ:1.00 CL1 B:GY2505 0.0 138.6 1.0 C08 B:GY2505 1.8 44.7 1.0 N07 B:GY2505 2.7 45.6 1.0 N09 B:GY2505 2.7 47.4 1.0 CD2 B:LEU240 3.3 30.4 1.0 CB B:LEU253 3.7 28.2 1.0 CD2 B:LEU253 3.8 22.3 1.0 CG B:LEU240 3.8 30.8 1.0 CD1 B:LEU253 3.9 22.4 1.0 C10 B:GY2505 4.0 32.2 1.0 C04 B:GY2505 4.0 35.2 1.0 CG B:LEU253 4.0 31.7 1.0 CB B:ALA248 4.0 48.3 1.0 O B:ASP249 4.1 38.3 1.0 C05 B:GY2505 4.5 35.1 1.0 O B:VAL236 4.5 47.6 1.0 CB B:CYS239 4.6 32.1 1.0 C B:ASP249 4.6 35.1 1.0 N B:ASP249 4.7 37.8 1.0 CD1 B:LEU240 4.8 36.0 1.0 N B:LEU240 4.8 41.7 1.0 C B:CYS239 4.9 45.2 1.0 CA B:LEU253 4.9 31.6 1.0 CB B:LEU240 5.0 31.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of T2R-Ttl-3A Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of T2R-Ttl-3A Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl502 b:188.9 occ:1.00 CL1 D:GY2502 0.0 188.9 1.0 C08 D:GY2502 1.8 52.1 1.0 N09 D:GY2502 2.7 61.2 1.0 N07 D:GY2502 2.7 55.7 1.0 CD2 D:LEU240 3.5 36.6 1.0 CD1 D:LEU253 3.8 50.7 1.0 CB D:LEU253 3.8 42.5 1.0 CG D:LEU240 3.8 38.2 1.0 CD2 D:LEU253 3.9 37.0 1.0 CB D:ALA248 3.9 40.3 1.0 C10 D:GY2502 4.0 52.0 1.0 C04 D:GY2502 4.0 50.2 1.0 CG D:LEU253 4.0 47.1 1.0 O D:VAL236 4.3 51.3 1.0 CD1 D:LEU240 4.4 31.5 1.0 CB D:CYS239 4.5 46.0 1.0 C05 D:GY2502 4.5 50.6 1.0 O D:ASP249 4.5 38.0 1.0 N D:LEU240 4.7 41.0 1.0 C D:CYS239 4.8 45.7 1.0 CA D:LEU253 4.9 37.0 1.0 C D:ASP249 4.9 38.3 1.0 N D:ASP249 5.0 32.9 1.0

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