Chlorine in PDB 7los: Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-65

Enzymatic activity of Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-65

All present enzymatic activity of Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-65:
3.4.19.12;

Protein crystallography data

The structure of Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-65, PDB code: 7los was solved by K.M.Ratia, R.Xiong, G.R.Thatcher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.85 / 2.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.564, 146.184, 60.321, 90, 99.53, 90
R / Rfree (%) 20.9 / 29.3

Other elements in 7los:

The structure of Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-65 also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-65 (pdb code 7los). 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 Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-65, PDB code: 7los:

Chlorine binding site 1 out of 1 in 7los

Go back to Chlorine Binding Sites List in 7los
Chlorine binding site 1 out of 1 in the Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-65


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-65 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:58.8
occ:1.00
NH1 B:ARG166 3.5 58.1 1.0
CZ B:ARG166 4.4 53.5 1.0
NH2 B:ARG166 4.4 53.2 1.0

Reference:

K.M.Ratia, R.Xiong, G.R.Thatcher. Potent, Novel Sars-Cov-2 Plpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures Biorxiv 2021.
Page generated: Wed Mar 3 12:59:29 2021

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