Bromine in PDB 4lqk: Structure of the Vaccinia Virus Nf- B Antagonist A46

The structure of Structure of the Vaccinia Virus Nf- B Antagonist A46, PDB code: 4lqk was solved by I.Grishkovskaya, S.Fedosyuk, T.Skern, K.Djinovic-Carugo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.46 / 1.99
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	107.114, 107.633, 137.899, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 21.9

The structure of Structure of the Vaccinia Virus Nf- B Antagonist A46 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Bromine atom in the Structure of the Vaccinia Virus Nf- B Antagonist A46 (pdb code 4lqk). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Structure of the Vaccinia Virus Nf- B Antagonist A46, PDB code: 4lqk:

Bromine binding site 1 out of 1 in the Structure of the Vaccinia Virus Nf- B Antagonist A46


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 Vaccinia Virus Nf- B Antagonist A46 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br301 b:37.4 occ:0.28 NE B:ARG100 2.7 32.2 0.5 CE B:MSE182 2.8 37.4 0.5 O B:MSE182 2.8 22.8 1.0 NH2 B:ARG100 2.9 35.7 0.8 CZ B:ARG100 3.2 34.3 0.9 CA B:MSE182 3.5 25.0 0.5 CA B:MSE182 3.5 25.4 0.5 C B:MSE182 3.5 24.1 1.0 CB B:MSE182 3.8 27.6 0.5 CD B:ARG100 3.9 29.5 0.8 CB B:MSE182 3.9 28.7 0.5 CB B:GLU186 4.1 26.4 1.0 SE B:MSE182 4.2 39.9 0.5 N B:GLU186 4.2 23.7 1.0 CB B:ALA185 4.3 22.3 1.0 OE1 B:GLU186 4.4 27.1 1.0 NH1 B:ARG100 4.4 36.7 0.9 CG B:ARG100 4.5 28.2 0.8 OH A:TYR179 4.5 26.0 1.0 CG B:MSE182 4.6 30.4 0.5 CG B:GLU186 4.6 27.5 1.0 CZ A:TYR179 4.6 26.1 1.0 CD B:GLU186 4.7 28.7 1.0 CA B:GLU186 4.7 24.9 1.0 CG B:MSE182 4.7 32.1 0.5 CE2 A:TYR179 4.7 26.1 1.0 N B:ALA183 4.8 22.6 1.0 N B:MSE182 4.9 24.3 1.0

S.Fedosyuk, I.Grishkovskaya, E.De Almeida Ribeiro, T.Skern. Characterization and Structure of the Vaccinia Virus Nf-Kappa B Antagonist A46. J.Biol.Chem. V. 289 3749 2014.
ISSN: ISSN 0021-9258
PubMed: 24356965
DOI: 10.1074/JBC.M113.512756