Fluorine in PDB 7q6t: Crystal Structure of the Bromodomain of ATAD2 with AZ13824374

All present enzymatic activity of Crystal Structure of the Bromodomain of ATAD2 with AZ13824374:
3.6.1.3;

The structure of Crystal Structure of the Bromodomain of ATAD2 with AZ13824374, PDB code: 7q6t was solved by S.J.Patel, J.J.Winter-Holt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.97 / 2.05
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.414, 79.414, 139.478, 90, 90, 120
R / Rfree (%)	19.7 / 21.6

The binding sites of Fluorine atom in the Crystal Structure of the Bromodomain of ATAD2 with AZ13824374 (pdb code 7q6t). 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 Bromodomain of ATAD2 with AZ13824374, PDB code: 7q6t:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Bromodomain of ATAD2 with AZ13824374


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 ATAD2 with AZ13824374 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1203 b:55.5 occ:1.00 F A:96L1203 0.0 55.5 1.0 C12 A:96L1203 1.4 49.8 1.0 C14 A:96L1203 2.3 46.9 1.0 C13 A:96L1203 2.4 49.3 1.0 C11 A:96L1203 2.4 48.8 1.0 N5 A:96L1203 3.7 47.2 1.0 OD2 A:ASP1068 4.0 48.5 0.5 OD1 A:ASP1068 4.1 44.3 0.5 CG A:ASP1068 4.3 42.9 0.5 C9 A:96L1203 4.4 48.1 1.0 C8 A:96L1203 4.8 45.6 1.0

J.J.Winter-Holt, C.Bardelle, E.Chiarparin, I.L.Dale, P.R.J.Davey, N.L.Davies, C.Denz, S.M.Fillery, C.M.Guerot, F.Han, S.J.Hughes, M.Kulkarni, Z.Liu, A.Milbradt, T.A.Moss, H.Niu, J.Patel, A.A.Rabow, M.Schimpl, J.Shi, D.Sun, D.Yang, S.Guichard. Discovery of A Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem. V. 65 3306 2022.
ISSN: ISSN 0022-2623
PubMed: 35133824
DOI: 10.1021/ACS.JMEDCHEM.1C01871