Chlorine in PDB 6q36: TEAD4(216-434) Complexed with Optimized Peptide 9 and Myristoate (Covalently Bound) at 2.01A Resolution: Structure-Based Design of Potent Linear Peptide Inhibitors of the Yap-Tead Protein-Protein Interaction Derived From the Yap Omega-Loop Sequence

The structure of TEAD4(216-434) Complexed with Optimized Peptide 9 and Myristoate (Covalently Bound) at 2.01A Resolution: Structure-Based Design of Potent Linear Peptide Inhibitors of the Yap-Tead Protein-Protein Interaction Derived From the Yap Omega-Loop Sequence, PDB code: 6q36 was solved by J.Kallen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.80 / 2.01
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	172.868, 40.438, 98.034, 90.00, 93.44, 90.00
R / Rfree (%)	21.7 / 24.4

The binding sites of Chlorine atom in the TEAD4(216-434) Complexed with Optimized Peptide 9 and Myristoate (Covalently Bound) at 2.01A Resolution: Structure-Based Design of Potent Linear Peptide Inhibitors of the Yap-Tead Protein-Protein Interaction Derived From the Yap Omega-Loop Sequence (pdb code 6q36). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the TEAD4(216-434) Complexed with Optimized Peptide 9 and Myristoate (Covalently Bound) at 2.01A Resolution: Structure-Based Design of Potent Linear Peptide Inhibitors of the Yap-Tead Protein-Protein Interaction Derived From the Yap Omega-Loop Sequence, PDB code: 6q36:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the TEAD4(216-434) Complexed with Optimized Peptide 9 and Myristoate (Covalently Bound) at 2.01A Resolution: Structure-Based Design of Potent Linear Peptide Inhibitors of the Yap-Tead Protein-Protein Interaction Derived From the Yap Omega-Loop Sequence


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of TEAD4(216-434) Complexed with Optimized Peptide 9 and Myristoate (Covalently Bound) at 2.01A Resolution: Structure-Based Design of Potent Linear Peptide Inhibitors of the Yap-Tead Protein-Protein Interaction Derived From the Yap Omega-Loop Sequence within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl3 b:48.5 occ:1.00 CLL C:6CW3 0.0 48.5 1.0 CH2 C:6CW3 1.8 47.0 1.0 CZ3 C:6CW3 2.7 45.8 1.0 CZ2 C:6CW3 2.7 45.9 1.0 CG2 A:ILE270 3.7 35.5 1.0 CB A:ILE270 3.8 35.2 1.0 CG A:LYS273 4.0 37.8 1.0 CE2 C:6CW3 4.0 45.4 1.0 CE3 C:6CW3 4.0 44.8 1.0 CB A:LYS273 4.2 37.7 1.0 CE2 A:PHE274 4.2 30.1 1.0 CB A:VAL414 4.3 28.4 1.0 CG2 A:THR394 4.3 25.7 1.0 CG2 A:VAL414 4.5 32.3 1.0 CD2 C:6CW3 4.5 45.8 1.0 CZ A:PHE274 4.6 28.6 1.0 CA A:ILE270 4.6 36.9 1.0 CD1 A:LEU295 4.7 31.6 1.0 CG1 A:VAL414 4.7 29.7 1.0 O A:ILE270 4.9 36.2 1.0 CD1 A:ILE270 4.9 34.1 1.0 CG1 A:ILE270 4.9 35.6 1.0

Chlorine binding site 2 out of 2 in the TEAD4(216-434) Complexed with Optimized Peptide 9 and Myristoate (Covalently Bound) at 2.01A Resolution: Structure-Based Design of Potent Linear Peptide Inhibitors of the Yap-Tead Protein-Protein Interaction Derived From the Yap Omega-Loop Sequence


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of TEAD4(216-434) Complexed with Optimized Peptide 9 and Myristoate (Covalently Bound) at 2.01A Resolution: Structure-Based Design of Potent Linear Peptide Inhibitors of the Yap-Tead Protein-Protein Interaction Derived From the Yap Omega-Loop Sequence within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl3 b:47.5 occ:1.00 CLL D:6CW3 0.0 47.5 1.0 CH2 D:6CW3 1.8 47.3 1.0 CZ2 D:6CW3 2.7 47.8 1.0 CZ3 D:6CW3 2.7 46.9 1.0 CG1 B:VAL414 3.3 29.1 1.0 CG2 B:ILE270 3.6 32.4 1.0 CB B:ILE270 3.9 32.9 1.0 CE2 D:6CW3 4.0 49.0 1.0 CG B:LYS273 4.0 41.7 1.0 CE3 D:6CW3 4.1 48.9 1.0 CE2 B:PHE274 4.2 31.5 1.0 CB B:LYS273 4.3 40.6 1.0 CB B:VAL414 4.4 27.7 1.0 CD2 D:6CW3 4.5 48.8 1.0 CD1 B:LEU295 4.6 24.0 0.5 CD1 B:LEU295 4.6 21.5 0.5 CG2 B:VAL414 4.6 27.2 1.0 CZ B:PHE274 4.7 30.9 1.0 CA B:ILE270 4.8 33.0 1.0 CZ D:PHE12 4.8 33.4 1.0

P.Furet, B.Salem, Y.Mesrouze, T.Schmelzle, I.Lewis, J.Kallen, P.Chene. Structure-Based Design of Potent Linear Peptide Inhibitors of the Yap-Tead Protein-Protein Interaction Derived From the Yap Omega-Loop Sequence. Bioorg.Med.Chem.Lett. V. 29 2316 2019.
ISSN: ESSN 1464-3405
PubMed: 31235263
DOI: 10.1016/J.BMCL.2019.06.022