Fluorine in PDB 7t3f: Development of BRD4 Inhibitors As Arsenicals Antidotes

The structure of Development of BRD4 Inhibitors As Arsenicals Antidotes, PDB code: 7t3f was solved by M.Wu, M.Yatchang, B.Mathew, L.Zhai, P.Ruiz, R.Bostwick, C.E.Augelli-Szafran, M.J.Suto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.37 / 1.28
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.913, 46.973, 77.593, 90, 90, 90
R / Rfree (%)	12 / 14.5

The binding sites of Fluorine atom in the Development of BRD4 Inhibitors As Arsenicals Antidotes (pdb code 7t3f). 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 Development of BRD4 Inhibitors As Arsenicals Antidotes, PDB code: 7t3f:

Fluorine binding site 1 out of 1 in the Development of BRD4 Inhibitors As Arsenicals Antidotes


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Development of BRD4 Inhibitors As Arsenicals Antidotes within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:19.6 occ:1.00 F1 A:EM0201 0.0 19.6 1.0 C1 A:EM0201 1.4 15.7 1.0 C6 A:EM0201 2.3 15.3 1.0 C2 A:EM0201 2.4 15.1 1.0 C16 A:EM0201 2.8 16.4 1.0 O A:HOH392 3.2 17.7 1.0 CB A:ASP145 3.3 11.0 1.0 C1 A:GOL204 3.5 33.4 1.0 C5 A:EM0201 3.6 14.8 1.0 OD2 A:ASP145 3.6 12.9 1.0 C3 A:EM0201 3.6 14.8 1.0 O2 A:GOL204 3.8 39.4 1.0 CG A:ASP145 4.0 11.5 1.0 C2 A:GOL204 4.2 21.7 1.0 C4 A:EM0201 4.2 14.5 1.0 O1 A:GOL204 4.5 46.3 1.0 CA A:ASP145 4.5 11.0 1.0 N A:ILE146 4.6 10.0 1.0 CG1 A:ILE146 4.7 14.9 1.0 N A:ASP145 4.7 11.6 1.0 C3 A:GOL204 4.7 28.2 1.0 C A:ASP145 4.9 10.3 1.0

M.F.Yatchang, B.Mathew, R.K.Srivastava, J.Khan, S.Muzaffar, S.Zhang, M.Wu, L.Zhai, P.Ruiz, A.Agarwal, J.R.Bostwick, M.J.Suto, M.Athar, C.E.Augelli-Szafran. Development of BRD4 Inhibitors As Anti-Inflammatory Agents and Antidotes For Arsenicals. Bioorg.Med.Chem.Lett. V. 64 28696 2022.
ISSN: ESSN 1464-3405
PubMed: 35318165
DOI: 10.1016/J.BMCL.2022.128696