Fluorine in PDB 6uyc: Crystal Structure of TEAD2 Bound to Compound 2

The structure of Crystal Structure of TEAD2 Bound to Compound 2, PDB code: 6uyc was solved by C.L.Noland, J.K.Holden, J.J.Crawford, J.R.Zbieg, C.N.Cunningham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.24 / 1.66
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	123.422, 61.249, 80.206, 90.00, 117.26, 90.00
R / Rfree (%)	19.4 / 21.6

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

Fluorine binding site 1 out of 4 in the Crystal Structure of TEAD2 Bound to Compound 2


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 TEAD2 Bound to Compound 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:46.1 occ:1.00 F A:QLV501 0.0 46.1 1.0 C12 A:QLV501 1.4 45.2 1.0 F1 A:QLV501 2.1 49.9 1.0 C13 A:QLV501 2.3 38.6 1.0 C11 A:QLV501 2.3 37.4 1.0 C10 A:QLV501 2.9 31.3 1.0 C14 A:QLV501 2.9 40.2 1.0 CD2 A:PHE428 3.2 16.7 1.0 C9 A:QLV501 3.5 33.6 1.0 CE2 A:PHE428 3.6 18.3 1.0 CB A:ALA304 3.7 20.7 1.0 CG A:PHE428 3.8 17.1 1.0 CB A:PHE428 4.2 18.7 1.0 CZ A:PHE428 4.5 17.5 1.0 CD2 A:LEU403 4.5 22.7 1.0 CD1 A:PHE428 4.6 17.4 1.0 C8 A:QLV501 4.6 32.4 1.0 CD1 A:LEU403 4.8 18.5 1.0 CG1 A:VAL252 4.8 18.9 1.0 CE1 A:PHE428 4.9 21.6 1.0 CE1 A:PHE406 4.9 29.8 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of TEAD2 Bound to Compound 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of TEAD2 Bound to Compound 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:49.9 occ:1.00 F1 A:QLV501 0.0 49.9 1.0 C12 A:QLV501 1.4 45.2 1.0 F A:QLV501 2.1 46.1 1.0 C13 A:QLV501 2.3 38.6 1.0 C11 A:QLV501 2.3 37.4 1.0 CD2 A:LEU387 3.3 29.1 1.0 CD2 A:LEU306 3.6 29.5 1.0 C10 A:QLV501 3.7 31.3 1.0 C14 A:QLV501 3.7 40.2 1.0 CD2 A:LEU390 4.0 33.6 1.0 CB A:ALA304 4.0 20.7 1.0 C9 A:QLV501 4.1 33.6 1.0 CD1 A:LEU306 4.3 37.6 1.0 CG A:LEU306 4.4 32.9 1.0 CG A:LEU387 4.5 22.9 1.0 CD2 A:LEU403 4.6 22.7 1.0 CE2 A:PHE386 4.8 23.1 1.0 CD1 A:LEU403 4.9 18.5 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of TEAD2 Bound to Compound 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of TEAD2 Bound to Compound 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:56.0 occ:1.00 F B:QLV502 0.0 56.0 1.0 C12 B:QLV502 1.4 48.0 1.0 F1 B:QLV502 2.1 47.0 1.0 C11 B:QLV502 2.3 43.3 1.0 C13 B:QLV502 2.3 35.6 1.0 C10 B:QLV502 2.6 34.0 1.0 C14 B:QLV502 2.8 41.5 1.0 CD2 B:PHE428 3.2 15.8 1.0 C9 B:QLV502 3.3 32.9 1.0 CE2 B:PHE428 3.7 21.1 1.0 CB B:ALA304 3.8 20.7 1.0 CG B:PHE428 3.8 17.6 1.0 CB B:PHE428 4.2 19.4 1.0 C8 B:QLV502 4.4 34.9 1.0 CZ B:PHE428 4.6 17.3 1.0 CG1 B:VAL252 4.7 25.3 1.0 CD1 B:PHE428 4.8 19.8 1.0 CD2 B:LEU403 4.8 21.8 1.0 CD1 B:LEU403 4.9 26.2 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of TEAD2 Bound to Compound 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of TEAD2 Bound to Compound 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:47.0 occ:1.00 F1 B:QLV502 0.0 47.0 1.0 C12 B:QLV502 1.4 48.0 1.0 F B:QLV502 2.1 56.0 1.0 C13 B:QLV502 2.3 35.6 1.0 C11 B:QLV502 2.3 43.3 1.0 CD2 B:LEU387 3.4 30.8 1.0 C10 B:QLV502 3.6 34.0 1.0 C14 B:QLV502 3.6 41.5 1.0 CD2 B:LEU306 3.7 33.5 1.0 CD2 B:LEU390 4.0 26.1 1.0 CD1 B:LEU306 4.0 35.8 1.0 C9 B:QLV502 4.1 32.9 1.0 CB B:ALA304 4.2 20.7 1.0 CG B:LEU306 4.3 27.3 1.0 CG B:LEU387 4.5 35.6 1.0 CD2 B:LEU403 4.8 21.8 1.0 CD1 B:LEU403 4.8 26.2 1.0

J.K.Holden, J.J.Crawford, C.L.Noland, S.Schmidt, J.R.Zbieg, J.A.Lacap, R.Zang, G.M.Miller, Y.Zhang, P.Beroza, R.Reja, W.Lee, J.Y.K.Tom, R.Fong, M.Steffek, S.Clausen, T.J.Hagenbeek, T.Hu, Z.Zhou, H.C.Shen, C.N.Cunningham. Small Molecule Dysregulation of Tead Lipidation Induces A Dominant-Negative Inhibition of Hippo Pathway Signaling Cell Rep 2020.
ISSN: ESSN 2211-1247