Fluorine in PDB 8ou2: Crystal Structure of the Bromodomain of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to A Potent Inhibitor

The structure of Crystal Structure of the Bromodomain of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to A Potent Inhibitor, PDB code: 8ou2 was solved by E.Balikci, X.Ni, C.Bountra, F.Von Delft, K.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	77.49 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.277, 27.043, 77.637, 90, 93.48, 90
R / Rfree (%)	18.1 / 22.2

The binding sites of Fluorine atom in the Crystal Structure of the Bromodomain of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to A Potent Inhibitor (pdb code 8ou2). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Bromodomain of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to A Potent Inhibitor, PDB code: 8ou2:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of the Bromodomain of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to A Potent Inhibitor


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 Bromodomain of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to A Potent Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F3101 b:21.9 occ:1.00 F1 A:W2W3101 0.0 21.9 1.0 C6 A:W2W3101 1.3 16.6 1.0 C5 A:W2W3101 2.3 18.9 1.0 C7 A:W2W3101 2.4 16.3 1.0 N3 A:W2W3101 2.7 13.8 1.0 N7 A:W2W3101 2.7 12.8 1.0 C8 A:W2W3101 2.9 13.5 1.0 CE1 A:PHE3013 2.9 14.2 1.0 OG1 B:THR2918 3.5 24.7 1.0 C4 A:W2W3101 3.6 19.7 1.0 CZ A:PHE3013 3.6 13.8 1.0 C23 A:W2W3101 3.6 15.7 1.0 CD1 A:PHE3013 3.6 13.8 1.0 CZ3 A:TRP2950 3.7 13.6 1.0 C11 A:W2W3101 3.7 14.7 1.0 CA A:PRO2951 3.8 10.4 1.0 CB A:PRO2951 3.8 10.4 1.0 C9 A:W2W3101 4.0 13.2 1.0 C24 A:W2W3101 4.1 17.9 1.0 CE3 A:TRP2950 4.2 13.9 1.0 C12 A:W2W3101 4.3 15.2 1.0 O A:PRO2951 4.3 10.7 1.0 O A:HOH3286 4.4 12.8 1.0 CH2 A:TRP2950 4.5 14.1 1.0 O B:HOH3313 4.5 18.9 1.0 N4 A:W2W3101 4.6 13.3 1.0 C A:PRO2951 4.6 9.9 1.0 CG A:PRO2951 4.7 10.6 1.0 C10 A:W2W3101 4.7 13.6 1.0 CE2 A:PHE3013 4.7 12.9 1.0 CG A:PHE3013 4.7 11.8 1.0 CB B:THR2918 4.8 22.7 1.0 C22 A:W2W3101 4.8 14.1 1.0 N A:PRO2951 4.9 10.0 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Bromodomain of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to A Potent Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Bromodomain of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to A Potent Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F3102 b:20.3 occ:1.00 F1 B:W2W3102 0.0 20.3 1.0 C6 B:W2W3102 1.4 18.7 1.0 C5 B:W2W3102 2.3 20.4 1.0 C7 B:W2W3102 2.4 16.5 1.0 N3 B:W2W3102 2.7 15.2 1.0 N7 B:W2W3102 2.7 13.0 1.0 C8 B:W2W3102 3.0 15.1 1.0 CE1 B:PHE3013 3.2 12.2 1.0 CZ3 B:TRP2950 3.5 25.9 1.0 C4 B:W2W3102 3.6 22.5 1.0 CZ B:PHE3013 3.6 12.1 1.0 C23 B:W2W3102 3.6 17.8 1.0 C11 B:W2W3102 3.7 14.7 1.0 CA B:PRO2951 3.9 10.3 1.0 CB B:PRO2951 3.9 10.7 1.0 CD1 B:PHE3013 4.1 11.5 1.0 C24 B:W2W3102 4.1 19.8 1.0 O B:HOH3283 4.1 14.8 1.0 C9 B:W2W3102 4.1 14.8 1.0 CH2 B:TRP2950 4.2 26.7 1.0 CE3 B:TRP2950 4.2 23.5 1.0 C12 B:W2W3102 4.3 14.0 1.0 O B:PRO2951 4.5 9.2 1.0 CE2 B:PHE3013 4.7 13.1 1.0 CG B:PRO2951 4.7 11.2 1.0 N4 B:W2W3102 4.7 14.3 1.0 C B:PRO2951 4.7 9.8 1.0 C10 B:W2W3102 4.9 14.3 1.0 N B:PRO2951 4.9 10.2 1.0 C22 B:W2W3102 5.0 16.8 1.0

E.Balikci, X.Ni, C.Bountra, F.Von Delft, K.Huber. Crystal Structure of the Bromodomain of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to A Potent Inhibitor To Be Published.