Chlorine in PDB 3p5o: Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Ibet Inhibitor

The structure of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Ibet Inhibitor, PDB code: 3p5o was solved by C.Chung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.58 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.428, 44.333, 78.345, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 18.5

The binding sites of Chlorine atom in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Ibet Inhibitor (pdb code 3p5o). 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 Ibet Inhibitor, PDB code: 3p5o:

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


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 Ibet Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:15.3 occ:1.00 CL A:EAM1 0.0 15.3 1.0 C10 A:EAM1 1.7 12.1 1.0 C9 A:EAM1 2.7 11.8 1.0 C11 A:EAM1 2.7 12.7 1.0 CB A:ASP145 3.7 17.1 1.0 O2 A:EDO169 3.7 24.5 1.0 OD2 A:ASP145 3.9 21.1 1.0 C8 A:EAM1 4.0 12.6 1.0 SD A:MET149 4.0 14.6 1.0 C12 A:EAM1 4.0 12.3 1.0 C1 A:EDO169 4.0 25.4 1.0 C2 A:EDO169 4.2 25.3 1.0 CG A:ASP145 4.2 19.2 1.0 O A:HOH177 4.4 36.4 1.0 C7 A:EAM1 4.5 11.6 1.0 CZ2 A:TRP81 4.7 12.5 1.0 CE A:MET149 4.9 12.2 1.0 CA A:ASP145 5.0 16.3 1.0 C A:ASP145 5.0 15.2 1.0 N A:ILE146 5.0 14.4 1.0

E.Nicodeme, K.L.Jeffrey, U.Schaefer, S.Beinke, S.Dewell, C.Chung, R.Chandwani, I.Marazzi, P.Wilson, H.Coste, J.White, J.Kirilovsky, C.M.Rice, J.M.Lora, R.K.Prinjha, K.Lee, A.Tarakhovsky. Suppression of Inflammation By A Synthetic Histone Mimic Nature V. 468 1119 2010.
ISSN: ISSN 0028-0836
PubMed: 21068722
DOI: 10.1038/NATURE09589