Chlorine in PDB 6yqo: Crystal Structure of the First Bromodomain of Human BRD4 in Complex with the Dual Inhibitor TW12

The structure of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with the Dual Inhibitor TW12, PDB code: 6yqo 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)	39.30 / 1.07
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.166, 44.295, 78.581, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 17.4

The binding sites of Chlorine atom in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with the Dual Inhibitor TW12 (pdb code 6yqo). 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 TW12, PDB code: 6yqo:

Chlorine binding site 1 out of 1 in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with the Dual Inhibitor TW12


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 TW12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:12.1 occ:1.00 CL A:P8Q204 0.0 12.1 1.0 C24 A:P8Q204 1.7 11.2 1.0 C25 A:P8Q204 2.7 10.4 1.0 C23 A:P8Q204 2.7 11.3 1.0 CB A:ASP145 3.6 9.9 1.0 O A:HOH308 3.8 24.3 1.0 SD A:MET149 3.8 9.0 1.0 OD2 A:ASP145 3.8 11.6 1.0 C26 A:P8Q204 4.0 10.2 1.0 C22 A:P8Q204 4.0 11.4 1.0 CG A:ASP145 4.1 10.2 1.0 CZ2 A:TRP81 4.4 12.2 1.0 C21 A:P8Q204 4.5 10.5 1.0 CE A:MET149 4.6 10.3 1.0 CH2 A:TRP81 4.6 12.6 1.0 CA A:ASP145 4.9 9.2 1.0 C A:ASP145 4.9 8.2 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 TW12 To Be Published.