Fluorine in PDB 6ked: BRD4 BROMODOMAIN1 with An Inhibitor

The structure of BRD4 BROMODOMAIN1 with An Inhibitor, PDB code: 6ked 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)	40.27 / 2.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.176, 47.023, 77.975, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 37.9

The binding sites of Fluorine atom in the BRD4 BROMODOMAIN1 with An Inhibitor (pdb code 6ked). 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: 6ked:
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:73.0 occ:1.00 F30 A:D7R201 0.0 73.0 1.0 C29 A:D7R201 1.4 66.6 1.0 C28 A:D7R201 2.3 69.6 1.0 C19 A:D7R201 2.4 48.0 1.0 C17 A:D7R201 2.8 52.6 1.0 O18 A:D7R201 2.9 54.3 1.0 N16 A:D7R201 3.2 67.7 1.0 CG A:PRO82 3.2 63.4 1.0 CB A:PRO82 3.3 57.2 1.0 CH2 A:TRP81 3.3 68.4 1.0 C12 A:D7R201 3.3 50.8 1.0 CD1 A:ILE146 3.4 36.2 1.0 CZ3 A:TRP81 3.6 65.4 1.0 C27 A:D7R201 3.6 69.7 1.0 C25 A:D7R201 3.6 51.5 1.0 C15 A:D7R201 3.9 52.8 1.0 C7 A:D7R201 4.0 58.0 1.0 CZ2 A:TRP81 4.0 66.7 1.0 C13 A:D7R201 4.0 62.0 1.0 C26 A:D7R201 4.1 68.1 1.0 C14 A:D7R201 4.3 61.1 1.0 CE3 A:TRP81 4.5 67.9 1.0 CA A:PRO82 4.5 53.9 1.0 C8 A:D7R201 4.5 57.2 1.0 CG1 A:ILE146 4.6 52.4 1.0 N4 A:D7R201 4.7 37.9 1.0 SD A:MET149 4.7 59.0 1.0 CD A:PRO82 4.7 59.6 1.0 F31 A:D7R201 4.7 73.7 1.0 CE2 A:TRP81 4.8 67.8 1.0 CE A:MET149 4.8 59.2 1.0 CB A:ILE146 4.8 46.7 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:73.7 occ:1.00 F31 A:D7R201 0.0 73.7 1.0 C27 A:D7R201 1.4 69.7 1.0 C26 A:D7R201 2.4 68.1 1.0 C28 A:D7R201 2.4 69.6 1.0 CB A:ASP145 3.0 61.0 1.0 C25 A:D7R201 3.6 51.5 1.0 C29 A:D7R201 3.6 66.6 1.0 OD1 A:ASP145 3.7 61.9 1.0 CG A:ASP145 3.8 63.7 1.0 C19 A:D7R201 4.1 48.0 1.0 CA A:ASP145 4.2 59.9 1.0 N A:ILE146 4.3 66.4 1.0 C A:ASP145 4.3 56.7 1.0 F30 A:D7R201 4.7 73.0 1.0 N A:ASP145 4.9 54.0 1.0 OD2 A:ASP145 4.9 75.9 1.0 O A:ASP145 4.9 60.9 1.0

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