Bromine in PDB 7cpd: Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex

The structure of Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex, PDB code: 7cpd was solved by H.Jiang, C.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.89 / 2.51
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.782, 156.552, 182.591, 90, 90, 90
R / Rfree (%)	18.3 / 24

The structure of Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Calcium	(Ca)	3 atoms

The binding sites of Bromine atom in the Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex (pdb code 7cpd). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex, PDB code: 7cpd:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Br501 b:61.5 occ:1.00 BR1 B:G9U501 0.0 61.5 1.0 C18 B:G9U501 2.0 54.5 1.0 C17 B:G9U501 2.9 48.7 1.0 C19 B:G9U501 2.9 53.7 1.0 H17 B:G9U501 2.9 64.5 1.0 H16 B:G9U501 3.0 58.4 1.0 O B:ASN350 3.0 33.3 1.0 C B:ASN350 3.5 29.8 1.0 O B:VAL315 3.5 34.2 1.0 N B:LYS352 3.9 27.3 1.0 CB B:LYS352 4.0 27.1 1.0 N B:VAL351 4.1 29.4 1.0 O B:ASN258 4.1 33.9 1.0 CA B:ASN350 4.1 35.3 1.0 C15 B:G9U501 4.2 48.8 1.0 N B:VAL315 4.2 23.7 1.0 C20 B:G9U501 4.2 60.1 1.0 CB B:THR314 4.3 24.5 1.0 CA B:VAL351 4.4 28.4 1.0 C B:VAL351 4.4 33.5 1.0 C B:VAL315 4.4 31.8 1.0 CG2 A:VAL181 4.4 39.2 1.0 CG2 B:THR314 4.5 21.1 1.0 CG1 A:VAL181 4.5 29.8 1.0 CA B:LYS352 4.6 30.1 1.0 O B:ASN349 4.6 28.6 1.0 SD B:MET259 4.7 37.0 1.0 CA B:THR314 4.7 20.6 1.0 C16 B:G9U501 4.7 55.1 1.0 C B:ASN258 4.9 34.3 1.0 CB B:ASN258 4.9 22.4 1.0 CB B:ASN350 4.9 32.9 1.0 H18 B:G9U501 4.9 72.2 1.0 C B:THR314 5.0 30.2 1.0 CA B:VAL315 5.0 26.0 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Br501 b:121.1 occ:1.00 BR1 D:G9U501 0.0 121.1 1.0 C18 D:G9U501 1.9 87.0 1.0 C19 D:G9U501 2.9 70.0 1.0 C17 D:G9U501 2.9 73.9 1.0 H17 D:G9U501 2.9 84.0 1.0 H16 D:G9U501 3.0 88.7 1.0 O D:ASN350 3.3 43.2 1.0 C D:ASN350 3.4 32.7 1.0 O D:VAL315 3.5 37.3 1.0 CG1 C:VAL181 3.6 30.0 1.0 CA D:ASN350 3.9 32.1 1.0 N D:VAL351 3.9 32.6 1.0 N D:LYS352 4.0 37.2 1.0 N D:VAL315 4.0 34.1 1.0 CB D:THR314 4.1 33.3 1.0 CB D:LYS352 4.1 33.3 1.0 C15 D:G9U501 4.2 59.5 1.0 C20 D:G9U501 4.2 62.7 1.0 CA D:VAL351 4.2 34.5 1.0 O D:ASN258 4.2 35.1 1.0 C D:VAL351 4.3 44.0 1.0 CG2 D:THR314 4.3 32.8 1.0 C D:VAL315 4.3 43.4 1.0 CA D:THR314 4.6 35.0 1.0 O D:ASN349 4.6 42.2 1.0 CA D:LYS352 4.7 37.9 1.0 C16 D:G9U501 4.7 58.6 1.0 CB D:ASN350 4.7 32.8 1.0 SD D:MET259 4.8 45.1 1.0 C D:THR314 4.8 38.4 1.0 CA D:VAL315 4.9 44.2 1.0 H18 D:G9U501 4.9 75.2 1.0 C D:ASN258 5.0 35.2 1.0

H.Jiang, C.Luo. Crystal Structure of T2R-Ttl-(+)-6-Br-JP18 Complex To Be Published.