Chlorine in PDB 6zci: Crystal Structure of BRD4-BD1 in Complex with Nvs-Bet-1

The structure of Crystal Structure of BRD4-BD1 in Complex with Nvs-Bet-1, PDB code: 6zci was solved by M.Faller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.615, 44.058, 80.552, 90, 90, 90
R / Rfree (%)	21.5 / 27.4

The binding sites of Chlorine atom in the Crystal Structure of BRD4-BD1 in Complex with Nvs-Bet-1 (pdb code 6zci). 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 BRD4-BD1 in Complex with Nvs-Bet-1, PDB code: 6zci:

Chlorine binding site 1 out of 1 in the Crystal Structure of BRD4-BD1 in Complex with Nvs-Bet-1


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 BRD4-BD1 in Complex with Nvs-Bet-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:31.0 occ:1.00 CL A:QFN201 0.0 31.0 1.0 C18 A:QFN201 1.7 30.0 1.0 C20 A:QFN201 2.7 29.4 1.0 C19 A:QFN201 2.7 29.9 1.0 N A:ILE146 3.4 28.9 1.0 CB A:ASP145 3.5 32.8 1.0 SD A:MET149 3.6 35.1 1.0 CA A:ILE146 3.8 28.6 1.0 C A:ASP145 3.8 30.1 1.0 CB A:ILE146 3.9 28.6 1.0 C17 A:QFN201 4.0 29.2 1.0 C21 A:QFN201 4.0 29.4 1.0 O A:HOH366 4.0 26.0 1.0 CA A:ASP145 4.3 31.9 1.0 CD1 A:ILE146 4.3 30.9 1.0 O A:ASP145 4.4 29.7 1.0 C16 A:QFN201 4.5 28.9 1.0 CG1 A:ILE146 4.7 29.9 1.0 CG A:MET149 4.8 30.0 1.0 CE A:MET149 4.9 33.1 1.0

F.Lohmann, S.Kirkland. Bet Bromodomain Inhibitors Regulate Keratinocyte Plasticity To Be Published.
DOI: 10.1038/S41589-020-00716-Z