Chlorine in PDB 6wvx: Crystal Structure of the First Bromodomain of Human BRD4 with Benzodiazepine Inhibitor

The structure of Crystal Structure of the First Bromodomain of Human BRD4 with Benzodiazepine Inhibitor, PDB code: 6wvx was solved by S.J.Eron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.32 / 1.55
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	30.43, 39.71, 57.82, 82.21, 75.25, 89.86
R / Rfree (%)	21.7 / 24.6

The binding sites of Chlorine atom in the Crystal Structure of the First Bromodomain of Human BRD4 with Benzodiazepine Inhibitor (pdb code 6wvx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the First Bromodomain of Human BRD4 with Benzodiazepine Inhibitor, PDB code: 6wvx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the First Bromodomain of Human BRD4 with Benzodiazepine 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 with Benzodiazepine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:16.0 occ:1.00 CL A:UDV201 0.0 16.0 1.0 C16 A:UDV201 1.7 13.0 1.0 C15 A:UDV201 2.7 12.9 1.0 C17 A:UDV201 2.7 13.2 1.0 O A:HOH371 3.5 27.3 1.0 SD A:MET149 3.7 9.3 1.0 CB A:ASP145 3.9 11.1 1.0 C14 A:UDV201 4.0 12.6 1.0 C18 A:UDV201 4.0 12.8 1.0 OD2 A:ASP145 4.2 17.5 1.0 C13 A:UDV201 4.5 12.2 1.0 CE A:MET149 4.6 8.7 1.0 CG A:ASP145 4.6 13.2 1.0 CZ2 A:TRP81 4.8 13.6 1.0 N A:ILE146 4.9 8.0 1.0 C A:ASP145 4.9 8.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the First Bromodomain of Human BRD4 with Benzodiazepine Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the First Bromodomain of Human BRD4 with Benzodiazepine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:9.1 occ:1.00 CL B:UDV201 0.0 9.1 1.0 C16 B:UDV201 1.7 7.4 1.0 C15 B:UDV201 2.7 7.3 1.0 C17 B:UDV201 2.7 7.2 1.0 OD2 B:ASP145 3.4 8.9 0.5 SD B:MET149 3.7 10.7 1.0 CB B:ASP145 3.9 8.8 1.0 CG B:ASP145 3.9 9.0 0.5 C14 B:UDV201 4.0 7.3 1.0 O B:HOH304 4.0 17.5 1.0 C18 B:UDV201 4.0 7.2 1.0 C13 B:UDV201 4.5 7.3 1.0 CE B:MET149 4.7 9.4 1.0 N B:ILE146 4.8 6.8 1.0 C B:ASP145 4.8 7.3 1.0 OD1 B:ASP145 4.9 9.6 0.5

S.J.Eron, A.Good. Utilizing Hdx-Ms to Interrogate Degrader-Induced Protein-Protein Interfaces To Be Published.