Chlorine in PDB 6ghp: 14-3-3SIGMA in Complex with A TASK3 Peptide Stabilized By Semi- Synthetic Natural Product Fc-Nac

The structure of 14-3-3SIGMA in Complex with A TASK3 Peptide Stabilized By Semi- Synthetic Natural Product Fc-Nac, PDB code: 6ghp was solved by S.A.Andrei, P.J.De Vink, L.Brunsveld, C.Ottmann, Y.Higuchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.61 / 1.95
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.453, 111.473, 63.675, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 23.1

The structure of 14-3-3SIGMA in Complex with A TASK3 Peptide Stabilized By Semi- Synthetic Natural Product Fc-Nac also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the 14-3-3SIGMA in Complex with A TASK3 Peptide Stabilized By Semi- Synthetic Natural Product Fc-Nac (pdb code 6ghp). 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 14-3-3SIGMA in Complex with A TASK3 Peptide Stabilized By Semi- Synthetic Natural Product Fc-Nac, PDB code: 6ghp:

Chlorine binding site 1 out of 1 in the 14-3-3SIGMA in Complex with A TASK3 Peptide Stabilized By Semi- Synthetic Natural Product Fc-Nac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 14-3-3SIGMA in Complex with A TASK3 Peptide Stabilized By Semi- Synthetic Natural Product Fc-Nac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:23.7 occ:1.00 HZ1 A:LYS9 2.2 24.4 1.0 HD3 A:LYS9 3.1 22.7 1.0 NZ A:LYS9 3.1 20.4 1.0 HZ2 A:LYS9 3.5 24.4 1.0 HZ3 A:LYS9 3.6 24.4 1.0 HE2 A:LYS9 3.6 19.0 1.0 HZ A:PHE25 3.6 20.7 1.0 CE A:LYS9 3.7 15.8 1.0 CD A:LYS9 3.8 18.9 1.0 HE2 A:MET1 3.8 23.4 1.0 HE2 A:PHE25 4.0 20.2 1.0 O A:HOH561 4.1 46.9 1.0 HD2 A:LYS9 4.2 22.7 1.0 CZ A:PHE25 4.3 17.3 1.0 HE3 A:MET1 4.4 23.4 1.0 CE A:MET1 4.5 19.5 1.0 CE2 A:PHE25 4.5 16.9 1.0 HE3 A:LYS9 4.6 19.0 1.0 HG2 A:LYS9 4.9 14.1 1.0 CG A:LYS9 5.0 11.8 1.0

S.A.Andrei, P.De Vink, E.Sijbesma, L.Han, L.Brunsveld, N.Kato, C.Ottmann, Y.Higuchi. Rationally Designed Semisynthetic Natural Product Analogues For Stabilization of 14-3-3 Protein-Protein Interactions. Angew. Chem. Int. Ed. Engl. V. 57 13470 2018.
ISSN: ESSN 1521-3773
PubMed: 30025189
DOI: 10.1002/ANIE.201806584