Fluorine in PDB 8b96: Crystal Structure of the Human BRD4-BD1 Bromodomain in Complex with the Inhibitor CRCM5464

The structure of Crystal Structure of the Human BRD4-BD1 Bromodomain in Complex with the Inhibitor CRCM5464, PDB code: 8b96 was solved by K.Carrasco, S.Betzi, X.Morelli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.70 / 1.34
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.431, 47.338, 58.112, 90, 90, 90
R / Rfree (%)	16.5 / 19.5

The binding sites of Fluorine atom in the Crystal Structure of the Human BRD4-BD1 Bromodomain in Complex with the Inhibitor CRCM5464 (pdb code 8b96). 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 Human BRD4-BD1 Bromodomain in Complex with the Inhibitor CRCM5464, PDB code: 8b96:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Human BRD4-BD1 Bromodomain in Complex with the Inhibitor CRCM5464


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 Human BRD4-BD1 Bromodomain in Complex with the Inhibitor CRCM5464 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:19.6 occ:1.00 F1 A:Q2F201 0.0 19.6 1.0 C20 A:Q2F201 1.4 16.2 1.0 C19 A:Q2F201 2.4 16.7 1.0 C21 A:Q2F201 2.4 14.6 1.0 O5 A:Q2F201 2.6 20.5 1.0 OD2 A:ASP145 3.0 14.6 1.0 CG A:ASP145 3.5 15.1 1.0 C16 A:Q2F201 3.6 13.8 1.0 C18 A:Q2F201 3.6 15.5 1.0 OD1 A:ASP145 3.9 18.0 1.0 C22 A:Q2F201 4.1 22.4 1.0 C17 A:Q2F201 4.1 15.1 1.0 CB A:ASP145 4.4 13.1 1.0 C26 A:Q2F201 4.7 23.2 1.0 C23 A:Q2F201 4.7 24.1 1.0

K.Carrasco, S.Betzi, X.Morelli. Crystal Structure of the Human BRD4-BD1 Bromodomain in Complex with the Inhibitor CRCM5464 To Be Published.