Fluorine in PDB 8pon: TEAD2 in Complex with An Inhibitor

The structure of TEAD2 in Complex with An Inhibitor, PDB code: 8pon was solved by J.F.Guichou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.58 / 2.20
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.117, 61.591, 111.292, 90, 102.57, 90
R / Rfree (%)	21 / 25.4

The binding sites of Fluorine atom in the TEAD2 in Complex with An Inhibitor (pdb code 8pon). 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 TEAD2 in Complex with An Inhibitor, PDB code: 8pon:

Fluorine binding site 1 out of 1 in the TEAD2 in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of TEAD2 in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:57.8 occ:1.00 F01 A:ZUT501 0.0 57.8 1.0 C02 A:ZUT501 1.4 56.3 1.0 C03 A:ZUT501 2.4 55.8 1.0 C07 A:ZUT501 2.4 58.4 1.0 C A:SER345 2.9 51.6 1.0 N A:LYS346 3.0 49.4 1.0 C A:LYS346 3.1 50.4 1.0 CB A:SER345 3.2 50.0 1.0 CG2 A:VAL347 3.2 48.1 1.0 N A:VAL347 3.2 48.3 1.0 O A:SER345 3.2 50.5 1.0 O A:LYS346 3.4 48.2 1.0 CG2 A:ILE408 3.4 47.0 1.0 CA A:LYS346 3.5 50.5 1.0 CA A:SER345 3.5 49.7 1.0 C04 A:ZUT501 3.7 59.9 1.0 C06 A:ZUT501 3.7 59.8 1.0 CA A:VAL347 3.9 50.6 1.0 CB A:VAL347 4.1 49.4 1.0 C05 A:ZUT501 4.2 57.1 1.0 OG A:SER345 4.3 59.6 1.0 CB A:ILE408 4.5 47.3 1.0 CG1 A:ILE408 4.6 46.9 1.0 CD1 A:ILE408 4.6 49.0 1.0 O A:LEU409 4.7 46.7 1.0 O A:VAL355 4.8 52.2 1.0 N A:SER345 4.9 50.3 1.0 CB A:LYS346 4.9 52.2 1.0 N08 A:ZUT501 5.0 57.7 1.0 N A:LEU409 5.0 47.9 1.0 CA A:ILE408 5.0 47.4 1.0

A.Fnaiche, L.Melin, N.G.Suarez, A.Paquin, V.Vu, F.Li, A.Allali-Hassani, A.Bolotokova, F.Allemand, M.Gelin, P.Cotelle, S.Woo, S.R.Laplante, D.Barsyte-Lovejoy, V.Santhakumar, M.Vedadi, J.F.Guichou, B.Annabi, A.Gagnon. Development of Lm-41 and Af-2112, Two Flufenamic Acid-Derived Tead Inhibitors Obtained Through the Replacement of the Trifluoromethyl Group By Aryl Rings. Bioorg.Med.Chem.Lett. V. 95 29488 2023.
ISSN: ESSN 1464-3405
PubMed: 37770003
DOI: 10.1016/J.BMCL.2023.129488