Chlorine in PDB 9iuu: Jn.1 Rbd with Q493E in Complex with ACE2

All present enzymatic activity of Jn.1 Rbd with Q493E in Complex with ACE2:
3.4.17.23;

The structure of Jn.1 Rbd with Q493E in Complex with ACE2 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Jn.1 Rbd with Q493E in Complex with ACE2 (pdb code 9iuu). 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 Jn.1 Rbd with Q493E in Complex with ACE2, PDB code: 9iuu:

Chlorine binding site 1 out of 1 in the Jn.1 Rbd with Q493E in Complex with ACE2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Jn.1 Rbd with Q493E in Complex with ACE2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:73.2 occ:1.00 NH2 A:ARG169 2.4 45.3 1.0 CH2 A:TRP477 3.3 42.8 1.0 CZ A:ARG169 3.3 45.4 1.0 NE A:ARG169 3.5 50.7 1.0 CZ2 A:TRP165 3.9 51.3 1.0 CZ2 A:TRP477 4.1 34.8 1.0 CZ3 A:TRP477 4.1 40.9 1.0 O A:TRP271 4.2 56.8 1.0 NE1 A:TRP165 4.2 51.4 1.0 CE A:LYS481 4.2 36.4 1.0 CH2 A:TRP478 4.3 36.4 1.0 CE2 A:TRP165 4.4 49.1 1.0 NH1 A:ARG169 4.5 43.6 1.0 CA A:TRP271 4.6 51.3 1.0 NZ A:LYS481 4.6 34.2 1.0 CZ2 A:TRP478 4.7 42.5 1.0 CB A:ALA264 4.7 41.4 1.0 C A:TRP271 4.7 52.2 1.0 CB A:TRP271 4.8 50.6 1.0 CB A:ASP499 4.8 27.2 1.0 CD A:ARG169 4.9 51.2 1.0

L.Feng, Z.Sun, Y.Zhang, F.Jian, S.Yang, K.Xia, L.Yu, J.Wang, F.Shao, X.Wang, Y.Cao. Structural and Molecular Basis of the Epistasis Effect in Enhanced Affinity Between Sars-Cov-2 Kp.3 and ACE2. Cell Discov V. 10 123 2024.
ISSN: ESSN 2056-5968
PubMed: 39616168
DOI: 10.1038/S41421-024-00752-2