Chlorine 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:

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-27A Complex (pdb code 7xqx). 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-27A Complex, PDB code: 7xqx:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of T2R-Ttl-27A 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-27A Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:87.4 occ:1.00 NZ A:LYS164 3.1 64.8 1.0 N A:GLY162 3.2 50.4 1.0 C A:TYR161 3.3 52.5 1.0 CA A:TYR161 3.4 62.1 1.0 N A:LYS163 3.4 64.3 1.0 O A:TYR161 3.9 56.9 1.0 CB A:LYS163 4.0 85.0 1.0 CA A:LYS163 4.1 78.2 1.0 CB A:TYR161 4.2 50.2 1.0 CA A:GLY162 4.3 62.9 1.0 CE A:LYS164 4.3 72.2 1.0 C A:GLY162 4.3 56.2 1.0 CG A:LYS164 4.3 68.6 1.0 N A:TYR161 4.4 68.8 1.0 N A:LYS164 4.5 74.1 1.0 C A:LYS163 4.6 72.2 1.0 CG A:LYS163 4.6 83.3 1.0 O A:ASP160 4.7 59.2 1.0 CD A:LYS164 4.7 72.1 1.0 C A:ASP160 5.0 58.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of T2R-Ttl-27A 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-27A Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:59.9 occ:1.00 CL1 B:GXI505 0.0 59.9 1.0 C08 B:GXI505 1.8 45.0 1.0 N07 B:GXI505 2.6 50.6 1.0 N09 B:GXI505 2.7 40.9 1.0 CD2 B:LEU240 3.3 46.2 1.0 CB B:ALA248 3.4 48.3 1.0 CG B:LEU240 3.7 39.5 1.0 C04 B:GXI505 3.9 53.2 1.0 CB B:CYS239 3.9 47.7 1.0 C10 B:GXI505 3.9 36.1 1.0 O B:ASP249 4.1 48.2 1.0 CB B:LEU253 4.1 36.4 1.0 CD2 B:LEU253 4.2 28.9 1.0 C B:CYS239 4.3 51.9 1.0 CD1 B:LEU253 4.3 30.9 1.0 O B:CYS239 4.4 59.4 1.0 C05 B:GXI505 4.4 39.5 1.0 N B:LEU240 4.4 55.7 1.0 N B:ASP249 4.4 46.7 1.0 CG B:LEU253 4.5 35.7 1.0 C B:ALA248 4.5 57.0 1.0 C B:ASP249 4.6 42.6 1.0 CA B:ALA248 4.6 54.6 1.0 CD1 B:LEU240 4.7 52.9 1.0 CA B:CYS239 4.7 47.1 1.0 CA B:LEU240 4.8 52.6 1.0 CB B:LEU240 4.8 47.0 1.0 CA B:ASP249 4.9 39.4 1.0 O B:VAL236 4.9 48.9 1.0 O B:ALA248 5.0 61.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of T2R-Ttl-27A 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-27A Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl502 b:99.2 occ:1.00 CL1 D:GXI502 0.0 99.2 1.0 C08 D:GXI502 1.8 78.7 1.0 N07 D:GXI502 2.7 85.3 1.0 N09 D:GXI502 2.7 73.1 1.0 CB D:ALA248 3.4 50.5 1.0 CD2 D:LEU240 3.6 50.0 1.0 CB D:CYS239 3.8 65.2 1.0 CG D:LEU240 3.9 45.0 1.0 C10 D:GXI502 4.0 54.0 1.0 C04 D:GXI502 4.0 77.8 1.0 CD1 D:LEU253 4.0 40.2 1.0 CB D:LEU253 4.2 56.3 1.0 O D:ASP249 4.3 44.4 1.0 N D:LEU240 4.3 58.5 1.0 C D:CYS239 4.3 59.9 1.0 C D:ALA248 4.5 46.0 1.0 C05 D:GXI502 4.5 72.4 1.0 N D:ASP249 4.5 42.9 1.0 CG D:LEU253 4.5 44.3 1.0 CA D:CYS239 4.6 60.5 1.0 CA D:ALA248 4.6 46.1 1.0 CD2 D:LEU253 4.6 50.2 1.0 O D:CYS239 4.7 62.8 1.0 C D:ASP249 4.7 45.3 1.0 CD1 D:LEU240 4.7 46.1 1.0 O D:ALA248 4.8 51.4 1.0 O D:VAL236 4.9 60.8 1.0 CA D:LEU240 4.9 51.2 1.0 N D:CYS239 4.9 50.6 1.0 CB D:LEU240 5.0 44.9 1.0

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