Chlorine in PDB 8ftl: Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease (Mpro) in Complex with Inhibitor JUN89-3-C1

All present enzymatic activity of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease (Mpro) in Complex with Inhibitor JUN89-3-C1:
3.4.22.69;

The structure of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease (Mpro) in Complex with Inhibitor JUN89-3-C1, PDB code: 8ftl was solved by E.M.Lewandowski, S.G.Butler, Y.Hu, H.Tan, J.Wang, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.45 / 2.08
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.365, 53.725, 113.799, 90, 101.38, 90
R / Rfree (%)	20.3 / 25.9

The binding sites of Chlorine atom in the Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease (Mpro) in Complex with Inhibitor JUN89-3-C1 (pdb code 8ftl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease (Mpro) in Complex with Inhibitor JUN89-3-C1, PDB code: 8ftl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease (Mpro) in Complex with Inhibitor JUN89-3-C1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease (Mpro) in Complex with Inhibitor JUN89-3-C1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:88.8 occ:1.00 CL35 A:5ZF401 0.0 88.8 1.0 C34 A:5ZF401 1.8 48.8 1.0 C02 A:5ZF401 2.8 49.6 1.0 SG A:CYS145 2.9 41.3 1.0 CB A:CYS145 2.9 35.3 1.0 O01 A:5ZF401 3.1 50.2 1.0 N A:CYS145 3.2 32.1 1.0 N A:GLY143 3.3 38.0 1.0 CA A:GLY143 3.3 41.5 1.0 C A:GLY143 3.5 35.9 1.0 CA A:CYS145 3.6 30.0 1.0 N A:SER144 3.8 35.0 1.0 O A:GLY143 3.9 35.9 1.0 N03 A:5ZF401 4.1 46.1 1.0 C A:SER144 4.3 32.9 1.0 CB A:LEU27 4.4 33.5 1.0 O A:CYS145 4.5 31.1 1.0 C A:CYS145 4.5 28.6 1.0 C A:ASN142 4.6 38.4 1.0 C04 A:5ZF401 4.6 51.6 1.0 CE1 A:HIS41 4.6 39.4 1.0 CA A:SER144 4.7 32.2 1.0 O A:THR26 4.9 38.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease (Mpro) in Complex with Inhibitor JUN89-3-C1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease (Mpro) in Complex with Inhibitor JUN89-3-C1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:83.5 occ:1.00 CL35 B:5ZF401 0.0 83.5 1.0 C34 B:5ZF401 1.8 41.6 1.0 C02 B:5ZF401 2.8 49.0 1.0 SG B:CYS145 2.8 39.2 1.0 CB B:CYS145 2.9 39.8 1.0 O01 B:5ZF401 3.1 52.2 1.0 N B:CYS145 3.1 36.4 1.0 CA B:GLY143 3.4 43.3 1.0 C B:GLY143 3.5 39.1 1.0 N B:GLY143 3.5 40.0 1.0 CA B:CYS145 3.6 35.0 1.0 N B:SER144 3.8 37.2 1.0 O B:GLY143 3.9 38.9 1.0 N03 B:5ZF401 4.1 42.3 1.0 CB B:LEU27 4.2 40.2 1.0 C B:SER144 4.3 36.9 1.0 O B:CYS145 4.4 38.0 1.0 C B:CYS145 4.5 34.5 1.0 CA B:SER144 4.6 36.9 1.0 CE1 B:HIS41 4.6 40.5 1.0 C04 B:5ZF401 4.6 49.1 1.0 O B:THR26 4.7 52.0 1.0 C B:ASN142 4.8 42.2 1.0 CA B:LEU27 4.9 44.4 1.0

E.M.Lewandowski, S.G.Butler, Y.Hu, H.Tan, J.Wang, Y.Chen. Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease (Mpro) in Complex with Inhibitor JUN89-3-C1 To Be Published.