Chlorine in PDB 6uyb: Crystal Structure of TEAD2 Bound to Compound 1

The structure of Crystal Structure of TEAD2 Bound to Compound 1, PDB code: 6uyb 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)	70.42 / 1.54
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	124.418, 62.090, 79.620, 90.00, 117.82, 90.00
R / Rfree (%)	19.6 / 23.2

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

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of TEAD2 Bound to Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:36.3 occ:1.00 CL18 A:QSJ602 0.0 36.3 1.0 C15 A:QSJ602 1.7 27.1 1.0 C16 A:QSJ602 2.6 31.6 1.0 C14 A:QSJ602 2.7 22.2 1.0 CB A:ALA304 3.6 16.6 1.0 CD1 A:LEU306 3.6 34.2 1.0 CD2 A:LEU387 3.7 24.7 1.0 C17 A:QSJ602 3.9 32.2 1.0 C13 A:QSJ602 4.0 24.4 1.0 CB A:PHE251 4.1 19.3 1.0 C12 A:QSJ602 4.5 25.5 1.0 CG1 A:VAL252 4.5 19.2 1.0 CG A:PHE251 4.6 20.7 1.0 CG A:LEU387 4.8 20.7 1.0 CD1 A:PHE251 4.9 22.1 1.0 CG A:LEU306 4.9 35.8 1.0 CD2 A:PHE428 4.9 11.7 1.0 CD1 A:LEU387 5.0 18.7 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of TEAD2 Bound to Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:48.8 occ:1.00 CL18 B:QSJ602 0.0 48.8 1.0 C15 B:QSJ602 1.7 45.3 1.0 C14 B:QSJ602 2.7 47.4 1.0 C16 B:QSJ602 2.7 37.3 1.0 CD2 B:LEU387 3.3 27.9 1.0 CB B:ALA304 3.4 17.0 1.0 CD2 B:LEU306 3.6 26.3 1.0 C17 B:QSJ602 4.0 38.6 1.0 C13 B:QSJ602 4.0 43.4 1.0 CB B:PHE251 4.0 14.8 1.0 C12 B:QSJ602 4.5 36.7 1.0 CG B:PHE251 4.5 21.5 1.0 CD1 B:PHE251 4.6 20.3 1.0 CG B:LEU387 4.6 22.7 1.0 CG B:LEU306 4.6 24.9 1.0 CA B:ALA304 4.8 18.0 1.0 CG1 B:VAL252 4.8 17.2 1.0 CD1 B:LEU387 4.9 24.2 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