Fluorine in PDB 7jt4: Crystal Structure of Bptf Bromodomain Labelled with 5-Fluoro- Tryptophan

The structure of Crystal Structure of Bptf Bromodomain Labelled with 5-Fluoro- Tryptophan, PDB code: 7jt4 was solved by J.A.Johnson, K.Shi, H.Aihara, W.C.K.Pomerantz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 2.06
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	27.335, 66.763, 39.26, 90, 105.02, 90
R / Rfree (%)	16.5 / 18.6

The binding sites of Fluorine atom in the Crystal Structure of Bptf Bromodomain Labelled with 5-Fluoro- Tryptophan (pdb code 7jt4). 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 Bptf Bromodomain Labelled with 5-Fluoro- Tryptophan, PDB code: 7jt4:

Fluorine binding site 1 out of 1 in the Crystal Structure of Bptf Bromodomain Labelled with 5-Fluoro- Tryptophan


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 Bptf Bromodomain Labelled with 5-Fluoro- Tryptophan within 5.0Å range: probe atom residue distance (Å) B Occ A:F91 b:12.6 occ:1.00 F A:FTR91 0.0 12.6 1.0 CZ3 A:FTR91 1.4 12.2 1.0 CE3 A:FTR91 2.4 10.5 1.0 CH2 A:FTR91 2.4 11.6 1.0 O A:HOH337 3.1 39.0 1.0 CE1 A:PHE154 3.4 10.7 1.0 O A:HOH308 3.5 37.2 1.0 CD2 A:FTR91 3.6 9.9 1.0 CZ2 A:FTR91 3.7 10.8 1.0 CZ A:PHE154 4.0 11.2 1.0 CB A:PRO92 4.0 12.5 1.0 CE2 A:FTR91 4.1 10.1 1.0 CD1 A:PHE154 4.4 11.3 1.0 CA A:PRO92 4.5 10.8 1.0 CG A:FTR91 4.8 9.7 1.0 O A:FTR91 4.9 10.7 1.0

S.E.Kirberger, P.D.Ycas, J.A.Johnson, C.Chen, M.F.Ciccone, R.W.L.Woo, A.K.Urick, H.Zahid, K.Shi, H.Aihara, S.D.Mcallister, M.Kashani-Sabet, J.Shi, A.Dickson, C.O.Dos Santos, W.C.K.Pomerantz. Selectivity, Ligand Deconstruction, and Cellular Activity Analysis of A Bptf Bromodomain Inhibitor Org.Biomol.Chem. V. 17 2020 2019.
ISSN: ESSN 1477-0539
PubMed: 30706071
DOI: 10.1039/C8OB02599A