Chlorine in PDB 6yqn: Crystal Structure of the First Bromodomain of Human BRD4 in Complex with the Dual Inhibitor TW9

The structure of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with the Dual Inhibitor TW9, PDB code: 6yqn was solved by A.C.Joerger, D.I.Balourdas, T.Weiser, D.Chatterjee, S.Knapp, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.15 / 1.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.254, 44.338, 78.256, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 17.6

The binding sites of Chlorine atom in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with the Dual Inhibitor TW9 (pdb code 6yqn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with the Dual Inhibitor TW9, PDB code: 6yqn:

Chlorine binding site 1 out of 1 in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with the Dual Inhibitor TW9


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with the Dual Inhibitor TW9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:23.1 occ:1.00 CL A:P8T203 0.0 23.1 1.0 C23 A:P8T203 1.7 21.4 1.0 C22 A:P8T203 2.7 21.1 1.0 C24 A:P8T203 2.7 21.5 1.0 O A:HOH311 3.4 33.3 1.0 CB A:ASP145 3.6 12.9 1.0 SD A:MET149 3.8 9.5 1.0 OD2 A:ASP145 3.9 14.3 1.0 C21 A:P8T203 4.0 20.9 1.0 C25 A:P8T203 4.0 21.0 1.0 CG A:ASP145 4.1 13.0 1.0 CZ2 A:TRP81 4.3 12.0 1.0 C20 A:P8T203 4.5 20.2 1.0 CE A:MET149 4.5 11.1 1.0 CH2 A:TRP81 4.5 12.6 1.0 CA A:ASP145 4.9 11.7 1.0 C A:ASP145 4.9 10.8 1.0 N A:ILE146 5.0 10.3 1.0

A.C.Joerger, D.I.Balourdas, T.Weiser, D.Chatterjee, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of the First Bromodomain of Human BRD4 in Complex with the Dual Inhibitor TW9 To Be Published.