Fluorine in PDB 6lg7: Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Compound Bdf-2030

The structure of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Compound Bdf-2030, PDB code: 6lg7 was solved by H.Xu, Y.Zuo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.68 / 1.83
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.677, 47.569, 78.511, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.5

The binding sites of Fluorine atom in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Compound Bdf-2030 (pdb code 6lg7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Compound Bdf-2030, PDB code: 6lg7:

Fluorine binding site 1 out of 1 in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Compound Bdf-2030


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Compound Bdf-2030 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:33.6 occ:1.00 F13 A:ECF201 0.0 33.6 1.0 C2 A:ECF201 1.4 31.5 1.0 C3 A:ECF201 2.4 29.4 1.0 C1 A:ECF201 2.4 30.5 1.0 O A:HOH322 3.0 21.5 1.0 CD1 A:PHE83 3.0 21.6 1.0 O A:HOH316 3.2 28.4 1.0 O A:PRO82 3.3 21.9 1.0 CE1 A:PHE83 3.3 23.0 1.0 C4 A:ECF201 3.6 30.5 1.0 C6 A:ECF201 3.7 28.5 1.0 O A:HOH340 3.7 26.6 1.0 C A:PRO82 3.9 23.1 1.0 CG2 A:VAL87 3.9 23.4 1.0 CG A:PHE83 3.9 22.7 1.0 CA A:PHE83 4.1 20.6 1.0 C5 A:ECF201 4.1 25.5 1.0 CZ A:PHE83 4.3 23.3 1.0 N A:PHE83 4.3 21.2 1.0 CB A:PHE83 4.5 20.3 1.0 CB A:PRO82 4.5 25.1 1.0 CD2 A:PHE83 4.7 22.5 1.0 CA A:PRO82 4.8 22.6 1.0 O11 A:ECF201 4.8 31.8 1.0 C7 A:ECF201 4.8 27.9 1.0 O A:HOH334 4.9 28.7 1.0 CD1 A:ILE146 4.9 25.1 1.0 O A:HOH309 4.9 30.4 1.0 CE2 A:PHE83 4.9 24.2 1.0 C15 A:ECF201 5.0 33.0 1.0

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