Fluorine in PDB 8fvk: First Bromodomain of BRD4 Liganded with Ccs-1477

The structure of First Bromodomain of BRD4 Liganded with Ccs-1477, PDB code: 8fvk was solved by E.Schonbrunn, M.Bikowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.20 / 1.53
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42, 54.81, 117.83, 90, 90, 90
R / Rfree (%)	16.1 / 18.9

The binding sites of Fluorine atom in the First Bromodomain of BRD4 Liganded with Ccs-1477 (pdb code 8fvk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the First Bromodomain of BRD4 Liganded with Ccs-1477, PDB code: 8fvk:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the First Bromodomain of BRD4 Liganded with Ccs-1477


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of First Bromodomain of BRD4 Liganded with Ccs-1477 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:27.2 occ:1.00 FBL A:JHL201 0.0 27.2 1.0 CBG A:JHL201 1.4 26.4 1.0 CBH A:JHL201 2.4 33.4 1.0 CBF A:JHL201 2.4 23.3 1.0 H30 A:JHL201 2.6 28.0 1.0 FBK A:JHL201 2.7 30.7 1.0 HG2 A:PRO82 3.0 13.1 1.0 HG3 A:PRO82 3.1 13.1 1.0 HD3 A:PRO82 3.2 11.8 1.0 CG A:PRO82 3.4 10.9 1.0 CBE A:JHL201 3.6 16.1 1.0 CBI A:JHL201 3.6 23.3 1.0 CD A:PRO82 3.7 9.8 1.0 SD A:MET149 3.7 13.7 1.0 HE1 A:MET149 3.8 29.2 1.0 HD2 A:PRO82 4.0 11.8 1.0 CBJ A:JHL201 4.1 26.7 1.0 CE A:MET149 4.2 24.4 1.0 HB3 A:TRP81 4.3 14.9 1.0 HE2 A:MET149 4.3 29.2 1.0 H31 A:JHL201 4.4 28.0 1.0 HE3 A:TRP81 4.4 20.8 1.0 HA A:PHE79 4.5 11.4 1.0 HD1 A:PHE79 4.7 12.5 1.0 HD13 A:ILE146 4.8 15.5 1.0 O A:HOH332 4.8 17.4 1.0 NAZ A:JHL201 4.8 17.9 1.0 CB A:PRO82 4.8 8.7 1.0 N A:PRO82 5.0 9.2 1.0

Fluorine binding site 2 out of 4 in the First Bromodomain of BRD4 Liganded with Ccs-1477


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of First Bromodomain of BRD4 Liganded with Ccs-1477 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:30.7 occ:1.00 FBK A:JHL201 0.0 30.7 1.0 CBH A:JHL201 1.4 33.4 1.0 CBI A:JHL201 2.4 23.3 1.0 CBG A:JHL201 2.4 26.4 1.0 H31 A:JHL201 2.6 28.0 1.0 FBL A:JHL201 2.7 27.2 1.0 HE3 A:TRP81 3.4 20.8 1.0 CBJ A:JHL201 3.6 26.7 1.0 CBF A:JHL201 3.7 23.3 1.0 HB3 A:TRP81 4.0 14.9 1.0 CBE A:JHL201 4.1 16.1 1.0 HD3 A:PRO82 4.2 11.8 1.0 CE3 A:TRP81 4.2 17.3 1.0 O A:HOH336 4.3 14.4 1.0 HB2 A:TRP81 4.4 14.9 1.0 H32 A:JHL201 4.4 32.0 1.0 H30 A:JHL201 4.4 28.0 1.0 CB A:TRP81 4.6 12.4 1.0 O A:GLN78 4.7 11.0 1.0 HZ3 A:TRP81 4.8 30.4 1.0 O A:HOH332 4.9 17.4 1.0 HG3 A:PRO82 5.0 13.1 1.0

Fluorine binding site 3 out of 4 in the First Bromodomain of BRD4 Liganded with Ccs-1477


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of First Bromodomain of BRD4 Liganded with Ccs-1477 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:18.4 occ:1.00 FBL B:JHL201 0.0 18.4 1.0 CBG B:JHL201 1.4 16.4 1.0 CBF B:JHL201 2.4 16.5 1.0 CBH B:JHL201 2.4 15.9 1.0 H30 B:JHL201 2.6 19.8 1.0 HG3 B:PRO82 2.6 16.8 1.0 FBK B:JHL201 2.7 17.2 1.0 HE1 B:MET149 2.9 14.3 1.0 SD B:MET149 3.1 11.6 1.0 HD13 B:ILE146 3.2 17.1 1.0 CE B:MET149 3.5 11.9 1.0 CG B:PRO82 3.5 14.0 1.0 HD12 B:ILE146 3.6 17.1 1.0 CBE B:JHL201 3.6 12.7 1.0 CBI B:JHL201 3.6 18.4 1.0 HB3 B:PRO82 3.7 14.0 1.0 CD1 B:ILE146 3.8 14.2 1.0 HD3 B:PRO82 3.9 12.1 1.0 HE2 B:MET149 4.0 14.3 1.0 CB B:PRO82 4.1 11.7 1.0 HG2 B:PRO82 4.1 16.8 1.0 CBJ B:JHL201 4.1 15.4 1.0 HE3 B:MET149 4.2 14.3 1.0 HD11 B:ILE146 4.2 17.1 1.0 CD B:PRO82 4.3 10.0 1.0 HA B:ILE146 4.4 13.2 1.0 H31 B:JHL201 4.4 22.2 1.0 HB2 B:PRO82 4.5 14.0 1.0 HB B:ILE146 4.6 12.3 1.0 O B:HOH328 4.6 25.1 1.0 HD2 B:PRO82 4.8 12.1 1.0 NAZ B:JHL201 4.8 15.8 1.0 CG B:MET149 4.9 10.3 1.0 NAN B:JHL201 5.0 14.4 1.0 HB3 B:ASP145 5.0 13.9 1.0

Fluorine binding site 4 out of 4 in the First Bromodomain of BRD4 Liganded with Ccs-1477


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of First Bromodomain of BRD4 Liganded with Ccs-1477 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:17.2 occ:1.00 FBK B:JHL201 0.0 17.2 1.0 CBH B:JHL201 1.4 15.9 1.0 CBI B:JHL201 2.4 18.4 1.0 CBG B:JHL201 2.4 16.4 1.0 HE1 B:MET149 2.6 14.3 1.0 H31 B:JHL201 2.6 22.2 1.0 HD3 B:PRO82 2.7 12.1 1.0 FBL B:JHL201 2.7 18.4 1.0 HG3 B:PRO82 3.3 16.8 1.0 CE B:MET149 3.5 11.9 1.0 CD B:PRO82 3.5 10.0 1.0 CBJ B:JHL201 3.6 15.4 1.0 CBF B:JHL201 3.6 16.5 1.0 HB3 B:TRP81 3.7 13.8 1.0 HE3 B:MET149 3.8 14.3 1.0 CG B:PRO82 3.9 14.0 1.0 HD1 B:TRP81 3.9 27.2 1.0 HD2 B:PRO82 3.9 12.1 1.0 CBE B:JHL201 4.1 12.7 1.0 HE2 B:MET149 4.1 14.3 1.0 HB3 B:PRO82 4.2 14.0 1.0 SD B:MET149 4.3 11.6 1.0 H32 B:JHL201 4.4 18.6 1.0 H30 B:JHL201 4.4 19.8 1.0 CB B:PRO82 4.6 11.7 1.0 CB B:TRP81 4.6 11.4 1.0 N B:PRO82 4.6 10.7 1.0 O B:HOH466 4.6 28.0 1.0 HG2 B:PRO82 4.7 16.8 1.0 CD1 B:TRP81 4.8 22.7 1.0 H1 B:JHL201 4.8 21.3 1.0 O B:HOH328 4.8 25.1 1.0

E.Schonbrunn, M.Bikowitz. Group 3 Medulloblastoma Transcriptional Networks Are Sensitive to EP300/Cbp Bromodomain Inhibition To Be Published.