Fluorine in PDB 6keg: BRD4 BROMODOMAIN1 with An Inhibitor

The structure of BRD4 BROMODOMAIN1 with An Inhibitor, PDB code: 6keg was solved by S.Xiao, Z.Li, S.Chen, B.Zhou, C.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.08 / 2.23
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.973, 47.385, 78.150, 90.00, 90.00, 90.00
R / Rfree (%)	24.1 / 33

The binding sites of Fluorine atom in the BRD4 BROMODOMAIN1 with An Inhibitor (pdb code 6keg). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the BRD4 BROMODOMAIN1 with An Inhibitor, PDB code: 6keg:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the BRD4 BROMODOMAIN1 with An Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of BRD4 BROMODOMAIN1 with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:60.6 occ:1.00 F30 A:D89201 0.0 60.6 1.0 C29 A:D89201 1.4 54.1 1.0 C28 A:D89201 2.4 52.7 1.0 C19 A:D89201 2.4 47.6 1.0 H281 A:D89201 2.5 63.2 1.0 O18 A:D89201 2.7 48.2 1.0 H031 A:D89201 3.4 49.4 1.0 C27 A:D89201 3.6 48.8 1.0 C25 A:D89201 3.6 51.5 1.0 C17 A:D89201 3.9 48.5 1.0 C3 A:D89201 4.0 41.2 1.0 C26 A:D89201 4.1 53.8 1.0 H021 A:D89201 4.2 46.4 1.0 N16 A:D89201 4.3 46.1 1.0 H251 A:D89201 4.4 61.8 1.0 C2 A:D89201 4.4 38.7 1.0 F31 A:D89201 4.7 60.1 1.0 CB A:ILE146 4.9 43.6 1.0 N4 A:D89201 4.9 44.6 1.0

Fluorine binding site 2 out of 2 in the BRD4 BROMODOMAIN1 with An Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of BRD4 BROMODOMAIN1 with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:60.1 occ:1.00 F31 A:D89201 0.0 60.1 1.0 C27 A:D89201 1.4 48.8 1.0 C28 A:D89201 2.3 52.7 1.0 C26 A:D89201 2.4 53.8 1.0 H281 A:D89201 2.5 63.2 1.0 H261 A:D89201 2.6 64.6 1.0 SD A:MET149 3.5 53.4 1.0 C29 A:D89201 3.6 54.1 1.0 CB A:ASP145 3.6 46.0 1.0 C25 A:D89201 3.7 51.5 1.0 C19 A:D89201 4.1 47.6 1.0 C A:ASP145 4.3 46.6 1.0 N A:ILE146 4.4 45.0 1.0 H251 A:D89201 4.4 61.8 1.0 CZ2 A:TRP81 4.5 49.0 1.0 CE A:MET149 4.6 44.5 1.0 CA A:ASP145 4.6 49.5 1.0 O A:ASP145 4.6 49.5 1.0 CG A:ASP145 4.7 57.7 1.0 OD2 A:ASP145 4.7 60.2 1.0 F30 A:D89201 4.7 60.6 1.0 CG A:MET149 4.7 41.4 1.0 CH2 A:TRP81 4.8 50.4 1.0 CA A:ILE146 4.8 44.3 1.0

S.Xiao, Z.Li, S.Chen, B.Zhou, C.Luo. BRD4 BROMODOMAIN1 with An Inhibitor To Be Published.