Chlorine in PDB 7cmm: Crystal Structure of TEAD1-Ybd in Complex with K-975

The structure of Crystal Structure of TEAD1-Ybd in Complex with K-975, PDB code: 7cmm was solved by Y.Tsuji, M.Suzuki, M.Yasunaga, K.Hamguchi, J.Saito, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 3.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	147.99, 151.81, 67.53, 90, 90, 90
R / Rfree (%)	23.4 / 28.4

The binding sites of Chlorine atom in the Crystal Structure of TEAD1-Ybd in Complex with K-975 (pdb code 7cmm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of TEAD1-Ybd in Complex with K-975, PDB code: 7cmm:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of TEAD1-Ybd in Complex with K-975


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 TEAD1-Ybd in Complex with K-975 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:96.9 occ:1.00 CL1 A:KK9501 0.0 96.9 1.0 C1 A:KK9501 1.8 97.9 1.0 C16 A:KK9501 2.8 98.3 1.0 C2 A:KK9501 2.8 97.5 1.0 CD1 A:LEU369 3.9 71.5 1.0 CD1 A:LEU294 4.0 63.6 1.0 C15 A:KK9501 4.1 96.6 1.0 C3 A:KK9501 4.1 95.7 1.0 CB A:ALA292 4.1 63.6 1.0 CD2 A:LEU382 4.3 61.8 1.0 C4 A:KK9501 4.6 96.6 1.0 CD2 A:PHE407 4.6 60.0 1.0 CE2 A:PHE385 4.8 56.7 1.0 CB A:PHE407 4.8 60.9 1.0 CG A:PHE407 4.9 59.9 1.0 CG1 A:ILE366 4.9 65.5 1.0 CG A:LEU382 4.9 71.5 1.0 CG A:LEU294 4.9 64.0 1.0 CD2 A:LEU294 5.0 70.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of TEAD1-Ybd in Complex with K-975


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 TEAD1-Ybd in Complex with K-975 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:103.3 occ:1.00 CL1 B:KK9501 0.0 103.3 1.0 C1 B:KK9501 1.8 94.0 1.0 C16 B:KK9501 2.8 89.2 1.0 C2 B:KK9501 2.8 89.2 1.0 CD1 B:LEU294 3.5 89.1 1.0 CD2 B:LEU369 4.0 70.7 1.0 C15 B:KK9501 4.1 83.3 1.0 C3 B:KK9501 4.1 82.7 1.0 CB B:ALA292 4.2 81.5 1.0 CG B:LEU294 4.3 92.2 1.0 CD2 B:LEU382 4.5 67.8 1.0 C4 B:KK9501 4.6 77.2 1.0 CD2 B:LEU294 4.6 95.2 1.0 CD2 B:PHE407 4.7 69.0 1.0 CD1 B:ILE366 4.7 63.4 1.0 CD1 B:LEU382 4.7 65.6 1.0 CG1 B:ILE366 4.8 63.3 1.0 CE2 B:PHE365 4.8 60.7 1.0 CG B:LEU382 4.9 66.0 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of TEAD1-Ybd in Complex with K-975


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of TEAD1-Ybd in Complex with K-975 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl501 b:110.8 occ:1.00 CL1 C:KK9501 0.0 110.8 1.0 C1 C:KK9501 1.8 107.7 1.0 C2 C:KK9501 2.8 106.8 1.0 C16 C:KK9501 2.8 104.3 1.0 CD1 C:LEU369 3.7 71.1 1.0 C3 C:KK9501 4.1 104.9 1.0 C15 C:KK9501 4.1 100.0 1.0 CB C:ALA292 4.3 55.5 1.0 CD1 C:LEU294 4.5 55.8 1.0 C4 C:KK9501 4.6 100.5 1.0 CD2 C:LEU382 4.6 77.8 1.0 CG1 C:ILE366 4.6 52.5 1.0 CD2 C:PHE407 4.7 72.4 1.0 CE2 C:PHE365 4.8 58.6 1.0 CD2 C:PHE365 4.9 58.3 1.0 CG C:LEU382 5.0 73.8 1.0 CE2 C:PHE385 5.0 51.0 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of TEAD1-Ybd in Complex with K-975


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of TEAD1-Ybd in Complex with K-975 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl501 b:82.9 occ:1.00 CL1 D:KK9501 0.0 82.9 1.0 C1 D:KK9501 1.8 79.1 1.0 C2 D:KK9501 2.8 77.6 1.0 C16 D:KK9501 2.8 76.8 1.0 CD2 D:PHE407 4.0 75.1 1.0 C3 D:KK9501 4.1 78.2 1.0 C15 D:KK9501 4.1 72.3 1.0 CB D:ALA292 4.1 94.1 1.0 CD1 D:LEU294 4.2 105.8 1.0 CD1 D:ILE366 4.4 80.7 1.0 CD1 D:LEU369 4.5 80.3 1.0 C4 D:KK9501 4.6 77.1 1.0 CE2 D:PHE385 4.6 85.9 1.0 CE2 D:PHE407 4.6 80.9 1.0 CD2 D:LEU382 4.6 79.9 1.0 CG D:PHE407 4.6 74.9 1.0 CB D:PHE407 4.7 85.0 1.0 CG D:LEU294 4.8 104.8 1.0

A.Kaneda, T.Seike, T.Danjo, T.Nakajima, N.Otsubo, D.Yamaguchi, Y.Tsuji, K.Hamaguchi, M.Yasunaga, Y.Nishiya, M.Suzuki, J.I.Saito, R.Yatsunami, S.Nakamura, Y.Sekido, K.Mori. The Novel Potent Tead Inhibitor, K-975, Inhibits YAP1/Taz-Tead Protein-Protein Interactions and Exerts An Anti-Tumor Effect on Malignant Pleural Mesothelioma. Am J Cancer Res V. 10 4399 2020.
ISSN: ISSN 2156-6976
PubMed: 33415007