Chlorine in PDB 6tch: Binary Complex of 14-3-3 Sigma and A High-Affinity Non-Canonical 9-Mer Peptide Binder

The structure of Binary Complex of 14-3-3 Sigma and A High-Affinity Non-Canonical 9-Mer Peptide Binder, PDB code: 6tch was solved by B.A.Somsen, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.08 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.475, 112.282, 62.758, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 18.4

The structure of Binary Complex of 14-3-3 Sigma and A High-Affinity Non-Canonical 9-Mer Peptide Binder also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the Binary Complex of 14-3-3 Sigma and A High-Affinity Non-Canonical 9-Mer Peptide Binder (pdb code 6tch). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Binary Complex of 14-3-3 Sigma and A High-Affinity Non-Canonical 9-Mer Peptide Binder, PDB code: 6tch:

Chlorine binding site 1 out of 1 in the Binary Complex of 14-3-3 Sigma and A High-Affinity Non-Canonical 9-Mer Peptide Binder


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Binary Complex of 14-3-3 Sigma and A High-Affinity Non-Canonical 9-Mer Peptide Binder within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:11.8 occ:1.00 HZ1 B:LYS9 2.3 9.1 1.0 HD3 B:LYS9 3.0 8.5 1.0 NZ B:LYS9 3.2 7.6 1.0 HZ3 B:LYS9 3.4 9.1 1.0 HZ B:PHE25 3.6 8.2 1.0 HZ2 B:LYS9 3.7 9.1 1.0 CD B:LYS9 3.7 7.1 1.0 CE B:LYS9 3.8 6.7 1.0 HE2 B:LYS9 3.9 8.1 1.0 HE3 B:MET1 3.9 15.7 1.0 HE1 B:PHE25 4.0 8.6 1.0 HD2 B:LYS9 4.0 8.5 1.0 CZ B:PHE25 4.3 6.9 1.0 HE1 B:MET1 4.4 15.7 1.0 CE1 B:PHE25 4.5 7.2 1.0 CE B:MET1 4.6 13.1 1.0 HE3 B:LYS9 4.7 8.1 1.0 O B:HOH694 4.9 27.5 1.0

A.J.Quartararo, Z.P.Gates, B.A.Somsen, N.Hartrampf, X.Ye, A.Shimada, Y.Kajihara, C.Ottmann, B.L.Pentelute. Ultra-Large Chemical Libraries For the Discovery of High-Affinity Peptide Binders. Nat Commun V. 11 3183 2020.
ISSN: ESSN 2041-1723
PubMed: 32576815
DOI: 10.1038/S41467-020-16920-3