Chlorine in PDB 6lqg: Human Gamma-Secretase in Complex with Small Molecule Avagacestat

The structure of Human Gamma-Secretase in Complex with Small Molecule Avagacestat also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Chlorine atom in the Human Gamma-Secretase in Complex with Small Molecule Avagacestat (pdb code 6lqg). 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 Human Gamma-Secretase in Complex with Small Molecule Avagacestat, PDB code: 6lqg:

Chlorine binding site 1 out of 1 in the Human Gamma-Secretase in Complex with Small Molecule Avagacestat


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Gamma-Secretase in Complex with Small Molecule Avagacestat within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl701 b:86.9 occ:1.00 CL1 B:EN9701 0.0 86.9 1.0 C32 B:EN9701 1.8 86.9 1.0 C31 B:EN9701 2.8 86.9 1.0 C30 B:EN9701 2.8 86.9 1.0 CD1 B:LEU422 3.5 61.9 1.0 CG2 B:THR421 3.5 61.3 1.0 CB B:ALA434 3.6 68.7 1.0 CD1 B:LEU381 3.6 65.8 1.0 CD1 B:LEU418 3.7 55.2 1.0 C26 B:EN9701 4.1 86.9 1.0 C25 B:EN9701 4.1 86.9 1.0 CB B:THR421 4.1 61.3 1.0 CA B:ALA434 4.4 68.7 1.0 CD1 B:LEU85 4.5 55.2 1.0 CG B:LEU422 4.5 61.9 1.0 C21 B:EN9701 4.7 86.9 1.0 N B:LEU422 4.9 61.9 1.0 C B:THR421 5.0 61.3 1.0 OG1 B:THR421 5.0 61.3 1.0

G.Yang, R.Zhou, X.Guo, C.Yan, J.Lei, Y.Shi. Structural Basis of Gamma-Secretase Inhibition and Modulation By Small Molecule Drugs. Cell 2020.
ISSN: ISSN 1097-4172
PubMed: 33373587
DOI: 10.1016/J.CELL.2020.11.049