Bromine in PDB 2ax9: Crystal Structure of the Androgen Receptor Ligand Binding Domain in Complex with R-3

The structure of Crystal Structure of the Androgen Receptor Ligand Binding Domain in Complex with R-3, PDB code: 2ax9 was solved by C.E.Bohl, D.D.Miller, J.Chen, C.E.Bell, J.T.Dalton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.88 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.379, 66.012, 69.055, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 24.9

The structure of Crystal Structure of the Androgen Receptor Ligand Binding Domain in Complex with R-3 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Bromine atom in the Crystal Structure of the Androgen Receptor Ligand Binding Domain in Complex with R-3 (pdb code 2ax9). 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 Crystal Structure of the Androgen Receptor Ligand Binding Domain in Complex with R-3, PDB code: 2ax9:

Bromine binding site 1 out of 1 in the Crystal Structure of the Androgen Receptor Ligand Binding Domain in Complex with R-3


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 the Androgen Receptor Ligand Binding Domain in Complex with R-3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:22.0 occ:1.00 BRAI A:BHM1 0.0 22.0 1.0 C13 A:BHM1 1.9 14.4 1.0 C11 A:BHM1 2.9 13.2 1.0 O11 A:BHM1 3.1 12.7 1.0 C10 A:BHM1 3.2 14.1 1.0 N09 A:BHM1 3.5 13.7 1.0 CH2 A:TRP741 3.5 26.2 1.0 CZ2 A:TRP741 3.9 26.4 1.0 O10 A:BHM1 3.9 13.5 1.0 OD1 A:ASN705 4.1 10.2 1.0 C12 A:BHM1 4.3 15.0 1.0 CE A:MET742 4.3 13.0 1.0 CG2 A:THR877 4.4 14.0 1.0 C06 A:BHM1 4.4 12.7 1.0 CZ3 A:TRP741 4.5 26.3 1.0 CA A:GLY708 4.5 11.7 1.0 CA A:ASN705 4.6 12.8 1.0 OG1 A:THR877 4.6 15.6 1.0 O A:LEU704 4.7 10.5 1.0 CE A:MET745 4.8 16.8 1.0 O A:ASN705 5.0 11.7 1.0

C.E.Bohl, D.D.Miller, J.Chen, C.E.Bell, J.T.Dalton. Structural Basis For Accommodation of Nonsteroidal Ligands in the Androgen Receptor J.Biol.Chem. V. 280 37747 2005.
ISSN: ISSN 0021-9258
PubMed: 16129672
DOI: 10.1074/JBC.M507464200