Bromine in PDB 1mgy: Structure of the D85S Mutant of Bacteriorhodopsin with Bromide Bound

The structure of Structure of the D85S Mutant of Bacteriorhodopsin with Bromide Bound, PDB code: 1mgy was solved by M.T.Facciotti, V.S.Cheung, D.Nguyen, S.Rouhani, R.M.Glaeser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.498, 121.326, 73.875, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 23.6

The structure of Structure of the D85S Mutant of Bacteriorhodopsin with Bromide Bound also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Bromine atom in the Structure of the D85S Mutant of Bacteriorhodopsin with Bromide Bound (pdb code 1mgy). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structure of the D85S Mutant of Bacteriorhodopsin with Bromide Bound, PDB code: 1mgy:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Structure of the D85S Mutant of Bacteriorhodopsin with Bromide Bound


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of the D85S Mutant of Bacteriorhodopsin with Bromide Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Br901 b:28.0 occ:0.74 OG A:SER85 2.9 25.3 1.0 NZ A:LYS216 3.2 18.6 1.0 O A:HOH410 3.3 22.2 0.5 OD1 A:ASP212 3.4 17.5 1.0 CG A:ASP212 3.5 15.3 1.0 CE A:LYS216 3.6 17.6 1.0 CB A:SER85 3.7 18.6 1.0 CD1 A:TRP86 3.8 14.2 1.0 CB A:ALA53 3.9 11.2 1.0 CE1 A:TYR57 3.9 17.8 1.0 NE1 A:TRP86 3.9 11.6 1.0 OD2 A:ASP212 3.9 15.9 1.0 CB A:ASP212 4.0 12.2 1.0 C15 A:RET301 4.3 17.8 1.0 CD A:LYS216 4.4 13.4 1.0 CD1 A:TYR57 4.5 18.7 1.0 CA A:ALA53 4.5 13.2 1.0 C14 A:RET301 4.5 15.9 1.0 CE A:MET20 4.7 12.2 1.0 O A:HOH410 4.7 22.1 0.5 C A:SER85 4.8 16.3 1.0 OG1 A:THR89 4.9 12.2 1.0 CZ A:TYR57 4.9 18.6 1.0 CA A:SER85 4.9 18.0 1.0 N A:TRP86 5.0 14.8 1.0

Bromine binding site 2 out of 2 in the Structure of the D85S Mutant of Bacteriorhodopsin with Bromide Bound


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of the D85S Mutant of Bacteriorhodopsin with Bromide Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Br902 b:44.7 occ:1.00 O A:HOH540 2.8 25.4 1.0 OG1 A:THR107 3.2 22.9 1.0 N A:ASP104 3.3 23.7 1.0 CD A:LYS159 3.5 33.2 1.0 CB A:THR107 3.6 20.5 1.0 CE A:LYS159 3.8 35.0 1.0 CA A:ALA103 3.9 23.0 1.0 CB A:ASP104 3.9 29.8 1.0 CB A:ALA103 3.9 22.8 1.0 CG2 A:THR107 4.0 21.4 1.0 CG A:ASP104 4.1 33.6 1.0 NZ A:LYS159 4.1 36.2 1.0 C A:ALA103 4.1 22.8 1.0 CA A:ASP104 4.2 25.4 1.0 OD2 A:ASP104 4.2 38.0 1.0 OD1 A:ASP104 4.5 36.1 1.0 CE1 A:PHE156 4.7 19.7 1.0 O A:ASP104 4.7 21.2 1.0 O A:HOH543 4.8 46.2 1.0 CG A:LYS159 4.8 31.2 1.0

M.T.Facciotti, V.S.Cheung, D.Nguyen, S.Rouhani, R.M.Glaeser. Crystal Structure of the Bromide-Bound D85S Mutant of Bacteriorhodopsin: Principles of Ion Pumping Biophys.J. V. 85 451 2003.
ISSN: ISSN 0006-3495
PubMed: 12829500