Fluorine in PDB 7tyq: TEAD2 Bound to Compound 1

The structure of TEAD2 Bound to Compound 1, PDB code: 7tyq was solved by C.L.Noland, R.Fong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.33 / 1.88
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.854, 61.183, 79.951, 90, 111.61, 90
R / Rfree (%)	20.6 / 24.7

The binding sites of Fluorine atom in the TEAD2 Bound to Compound 1 (pdb code 7tyq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the TEAD2 Bound to Compound 1, PDB code: 7tyq:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the TEAD2 Bound to Compound 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of TEAD2 Bound to Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:48.1 occ:1.00 F A:KUI501 0.0 48.1 1.0 C15 A:KUI501 1.3 51.7 1.0 F2 A:KUI501 2.1 53.1 1.0 F1 A:KUI501 2.1 53.7 1.0 C12 A:KUI501 2.4 42.9 1.0 C13 A:KUI501 3.1 40.7 1.0 C11 A:KUI501 3.4 39.3 1.0 CB A:PHE251 3.4 25.6 1.0 CD2 A:LEU387 3.7 25.4 1.0 CG A:PHE251 4.1 28.8 1.0 CG1 A:VAL252 4.2 29.9 1.0 CB A:ALA304 4.2 25.1 1.0 C14 A:KUI501 4.3 36.3 1.0 C10 A:KUI501 4.6 29.0 1.0 CG A:LEU387 4.6 22.6 1.0 CD1 A:LEU387 4.6 29.2 1.0 CD1 A:PHE251 4.6 27.6 1.0 CA A:PHE251 4.7 27.3 1.0 CG2 A:VAL252 4.7 31.2 1.0 CD2 A:PHE251 4.7 29.6 1.0 C A:PHE251 4.7 32.8 1.0 CD2 A:LEU306 4.8 35.3 1.0 N A:VAL252 5.0 27.8 1.0 C9 A:KUI501 5.0 35.5 1.0 CB A:ALA235 5.0 26.1 1.0

Fluorine binding site 2 out of 6 in the TEAD2 Bound to Compound 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of TEAD2 Bound to Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:53.7 occ:1.00 F1 A:KUI501 0.0 53.7 1.0 C15 A:KUI501 1.3 51.7 1.0 F2 A:KUI501 2.1 53.1 1.0 F A:KUI501 2.1 48.1 1.0 C12 A:KUI501 2.4 42.9 1.0 C13 A:KUI501 2.9 40.7 1.0 C11 A:KUI501 3.5 39.3 1.0 CD2 A:LEU387 3.5 25.4 1.0 CG A:LEU387 4.2 22.6 1.0 C14 A:KUI501 4.2 36.3 1.0 CE1 A:PHE406 4.4 34.1 1.0 C10 A:KUI501 4.7 29.0 1.0 CZ A:PHE406 4.7 36.6 1.0 CD1 A:LEU387 4.8 29.2 1.0 CD2 A:PHE386 4.8 29.4 1.0 CE2 A:PHE428 4.9 24.9 1.0 CE2 A:PHE386 4.9 30.3 1.0 CD2 A:PHE428 4.9 24.1 1.0 C9 A:KUI501 5.0 35.5 1.0

Fluorine binding site 3 out of 6 in the TEAD2 Bound to Compound 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of TEAD2 Bound to Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:53.1 occ:1.00 F2 A:KUI501 0.0 53.1 1.0 C15 A:KUI501 1.3 51.7 1.0 F1 A:KUI501 2.1 53.7 1.0 F A:KUI501 2.1 48.1 1.0 C12 A:KUI501 2.4 42.9 1.0 C11 A:KUI501 2.7 39.3 1.0 CE2 A:PHE428 3.1 24.9 1.0 CD2 A:PHE428 3.3 24.1 1.0 C13 A:KUI501 3.6 40.7 1.0 CG1 A:VAL252 3.9 29.9 1.0 CZ A:PHE428 4.0 24.7 1.0 C10 A:KUI501 4.1 29.0 1.0 CB A:ALA304 4.2 25.1 1.0 CG A:PHE428 4.3 22.9 1.0 CE1 A:PHE406 4.7 34.1 1.0 CG2 A:VAL252 4.7 31.2 1.0 C14 A:KUI501 4.8 36.3 1.0 CE1 A:PHE428 4.9 24.3 1.0 CB A:VAL252 4.9 26.8 1.0 C9 A:KUI501 5.0 35.5 1.0

Fluorine binding site 4 out of 6 in the TEAD2 Bound to Compound 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of TEAD2 Bound to Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:42.6 occ:1.00 F B:KUI501 0.0 42.6 1.0 C15 B:KUI501 1.3 38.9 1.0 F1 B:KUI501 2.1 51.6 1.0 F2 B:KUI501 2.1 52.3 1.0 C12 B:KUI501 2.4 39.6 1.0 C11 B:KUI501 3.1 42.9 1.0 C13 B:KUI501 3.3 50.5 1.0 CD2 B:PHE428 3.9 21.6 1.0 CE2 B:PHE428 3.9 22.8 1.0 CE1 B:PHE406 4.2 40.0 1.0 C10 B:KUI501 4.4 41.0 1.0 CD2 B:LEU387 4.5 47.8 1.0 C14 B:KUI501 4.5 48.9 1.0 CZ B:PHE428 4.6 21.7 1.0 CG B:PHE428 4.7 17.7 1.0 CB B:ALA304 4.7 34.4 1.0 CD2 B:LEU403 4.7 35.4 1.0 CZ B:PHE406 4.7 52.0 1.0 CD1 B:PHE406 4.8 41.5 1.0 C9 B:KUI501 5.0 37.1 1.0

Fluorine binding site 5 out of 6 in the TEAD2 Bound to Compound 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of TEAD2 Bound to Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:51.6 occ:1.00 F1 B:KUI501 0.0 51.6 1.0 C15 B:KUI501 1.3 38.9 1.0 F B:KUI501 2.1 42.6 1.0 F2 B:KUI501 2.1 52.3 1.0 C12 B:KUI501 2.4 39.6 1.0 C11 B:KUI501 2.9 42.9 1.0 CG1 B:VAL252 3.4 31.6 1.0 C13 B:KUI501 3.5 50.5 1.0 CB B:PHE251 3.7 35.4 1.0 CB B:ALA304 3.9 34.4 1.0 CE2 B:PHE428 3.9 22.8 1.0 CG2 B:VAL252 3.9 36.8 1.0 CD2 B:PHE428 4.2 21.6 1.0 C10 B:KUI501 4.2 41.0 1.0 CB B:VAL252 4.3 33.1 1.0 C B:PHE251 4.5 37.7 1.0 N B:VAL252 4.5 36.0 1.0 CG B:PHE251 4.7 41.2 1.0 C14 B:KUI501 4.7 48.9 1.0 O B:PHE251 4.8 36.1 1.0 CA B:PHE251 4.8 33.4 1.0 CB B:ALA235 4.8 33.5 1.0 CZ B:PHE428 4.9 21.7 1.0 C9 B:KUI501 5.0 37.1 1.0

Fluorine binding site 6 out of 6 in the TEAD2 Bound to Compound 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of TEAD2 Bound to Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:52.3 occ:1.00 F2 B:KUI501 0.0 52.3 1.0 C15 B:KUI501 1.3 38.9 1.0 F1 B:KUI501 2.1 51.6 1.0 F B:KUI501 2.1 42.6 1.0 C12 B:KUI501 2.3 39.6 1.0 C13 B:KUI501 2.7 50.5 1.0 CD2 B:LEU387 3.1 47.8 1.0 C11 B:KUI501 3.6 42.9 1.0 CB B:PHE251 3.7 35.4 1.0 CD1 B:LEU387 4.0 41.8 1.0 CG B:PHE251 4.0 41.2 1.0 CG B:LEU387 4.0 42.9 1.0 C14 B:KUI501 4.1 48.9 1.0 CD2 B:PHE251 4.2 39.9 1.0 CD2 B:LEU306 4.2 49.5 1.0 CD1 B:PHE251 4.7 40.8 1.0 C10 B:KUI501 4.7 41.0 1.0 CB B:ALA304 4.9 34.4 1.0 C9 B:KUI501 5.0 37.1 1.0 CE2 B:PHE251 5.0 43.1 1.0

T.J.Hagenbeek, J.R.Zbieg, C.L.Noland, X.Yao, S.Schmidt, S.Clausen, M.Steffek, W.Lee, P.Beroza, S.Martin, E.Lin, R.Fong, P.Di Lello, M.H.Kubala, J.A.Lacap, M.N.Y.Yang, D.Maddalo, J.T.Lau, L.An, E.Levy, M.N.Lorenzo, H.J.Lee, T.H.Pham, Z.Modrusan, R.Zang, Y.C.Chen, J.Li, M.Hafner, M.T.Chang, J.J.Crawford, A.Dey. Novel Mechanism of Yap-Tead Inhibition Results in Targeted Chromatin Remodeling and Reveals An Expanded Hippo Dependent Landscape in Cancers To Be Published.