Bromine in PDB 7l1e: The Crystal Structure of Bromide-Bound GTACR1

The structure of The Crystal Structure of Bromide-Bound GTACR1, PDB code: 7l1e was solved by H.Li, C.Y.Huang, M.Wang, J.L.Spudich, L.Zheng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.94 / 3.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.66, 77.64, 73.63, 90, 95.59, 90
R / Rfree (%)	24.1 / 28.6

The binding sites of Bromine atom in the The Crystal Structure of Bromide-Bound GTACR1 (pdb code 7l1e). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the The Crystal Structure of Bromide-Bound GTACR1, PDB code: 7l1e:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the The Crystal Structure of Bromide-Bound GTACR1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Crystal Structure of Bromide-Bound GTACR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:71.8 occ:0.65 CD A:PRO58 3.1 69.3 1.0 CG A:PRO58 3.6 74.1 1.0 CD2 A:LEU245 3.7 41.2 1.0 CB A:ALA61 4.1 54.5 1.0 CB A:PRO58 4.2 69.0 1.0 N A:PRO58 4.2 65.4 1.0 CD1 A:TRP250 4.3 77.2 1.0 NE1 A:TRP250 4.4 78.4 1.0 CD1 A:TRP246 4.5 75.2 1.0 CB A:TRP246 4.6 54.1 1.0 OG1 A:THR249 4.6 55.2 1.0 CA A:TRP246 4.6 46.1 1.0 N A:TRP246 4.9 46.4 1.0 CA A:PRO58 4.9 68.4 1.0

Bromine binding site 2 out of 2 in the The Crystal Structure of Bromide-Bound GTACR1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Crystal Structure of Bromide-Bound GTACR1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br301 b:71.0 occ:0.56 CD B:PRO58 3.2 89.2 1.0 CD1 B:TRP250 3.3 84.9 1.0 NE1 B:TRP250 3.5 87.7 1.0 CG B:PRO58 4.0 92.3 1.0 CD1 B:TRP246 4.2 49.1 1.0 OG1 B:THR249 4.3 50.8 1.0 CA B:TRP246 4.3 49.8 1.0 O B:LYS56 4.4 95.8 1.0 CB B:TRP246 4.4 51.2 1.0 N B:PRO58 4.4 87.0 1.0 CD2 B:LEU245 4.4 49.7 1.0 CG B:TRP250 4.6 79.1 1.0 CA B:VAL57 4.6 79.0 1.0 CB B:ALA61 4.7 40.8 1.0 CG B:TRP246 4.7 53.9 1.0 N B:TRP246 4.8 46.6 1.0 CE2 B:TRP250 4.9 91.6 1.0

H.Li, C.Y.Huang, E.G.Govorunova, O.A.Sineshchekov, A.Yi, K.J.Rothschild, M.Wang, L.Zheng, J.L.Spudich, S.Subramaniam. The Crystal Structure of Bromide-Bound GTACR1 Reveals A Pre-Activated State in the Transmembrane Anion Tunnel Elife V. 10 2021.
ISSN: ESSN 2050-084X
DOI: 10.7554/ELIFE.65903