Chlorine in PDB 6lg5: Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Compound Bdf-1038

The structure of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Compound Bdf-1038, PDB code: 6lg5 was solved by H.Xu, Y.Zuo, H.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.28 / 1.83
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	31.964, 47.246, 78.897, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 20.2

The binding sites of Chlorine atom in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Compound Bdf-1038 (pdb code 6lg5). 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 Compound Bdf-1038, PDB code: 6lg5:

Chlorine binding site 1 out of 1 in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Compound Bdf-1038


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 Compound Bdf-1038 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:28.8 occ:1.00 CL1 A:EC3201 0.0 28.8 1.0 C10 A:EC3201 1.8 23.2 1.0 C9 A:EC3201 2.7 20.1 1.0 C11 A:EC3201 2.8 22.3 1.0 C14 A:EC3201 3.1 18.6 1.0 CD2 A:LEU92 3.7 26.0 1.0 C8 A:EC3201 4.0 15.3 1.0 CH2 A:TRP81 4.0 17.7 1.0 C12 A:EC3201 4.1 20.3 1.0 CZ3 A:TRP81 4.1 15.8 1.0 CD1 A:LEU92 4.3 24.4 1.0 C15 A:EC3201 4.5 26.0 1.0 C13 A:EC3201 4.6 18.7 1.0 CG A:LEU92 4.6 25.5 1.0 O A:HOH373 5.0 23.2 1.0

H.Xu, Y.Zuo. Lead-Opt: An Efficient Tool For Structural Optimization of Lead Compounds To Be Published.