Chlorine in PDB 8ty3: Mi-31 Ligand Bound to Sars-Cov-2 Mpro

All present enzymatic activity of Mi-31 Ligand Bound to Sars-Cov-2 Mpro:
3.4.22.69;

The structure of Mi-31 Ligand Bound to Sars-Cov-2 Mpro, PDB code: 8ty3 was solved by L.R.Blankenship, W.R.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.45 / 1.85
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	51.532, 80.228, 89.337, 90, 96.5, 90
R / Rfree (%)	21.1 / 22.4

The binding sites of Chlorine atom in the Mi-31 Ligand Bound to Sars-Cov-2 Mpro (pdb code 8ty3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Mi-31 Ligand Bound to Sars-Cov-2 Mpro, PDB code: 8ty3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Mi-31 Ligand Bound to Sars-Cov-2 Mpro


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mi-31 Ligand Bound to Sars-Cov-2 Mpro within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:47.1 occ:1.00 CL1 A:SJF401 0.0 47.1 1.0 C7 A:SJF401 1.8 33.2 1.0 C9 A:SJF401 2.7 30.0 1.0 C6 A:SJF401 2.8 37.0 1.0 CL2 A:SJF401 3.2 45.9 1.0 O A:HOH543 3.6 30.4 1.0 C21 A:SJF401 3.7 25.8 1.0 O38 A:SJF401 3.9 24.7 1.0 C3 A:SJF401 4.0 29.3 1.0 C22 A:SJF401 4.0 25.7 1.0 C5 A:SJF401 4.1 32.0 1.0 CG A:ASN142 4.2 32.6 1.0 ND2 A:ASN142 4.4 34.1 1.0 OD1 A:ASN142 4.4 33.6 1.0 CB A:ASN142 4.5 26.3 1.0 C4 A:SJF401 4.6 28.9 1.0 C20 A:SJF401 5.0 19.1 1.0

Chlorine binding site 2 out of 2 in the Mi-31 Ligand Bound to Sars-Cov-2 Mpro


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mi-31 Ligand Bound to Sars-Cov-2 Mpro within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:45.9 occ:1.00 CL2 A:SJF401 0.0 45.9 1.0 C6 A:SJF401 1.8 37.0 1.0 C7 A:SJF401 2.8 33.2 1.0 C5 A:SJF401 2.8 32.0 1.0 CL1 A:SJF401 3.2 47.1 1.0 O A:HOH620 3.7 31.3 1.0 C22 A:SJF401 4.0 25.7 1.0 C9 A:SJF401 4.1 30.0 1.0 C4 A:SJF401 4.1 28.9 1.0 C3 A:SJF401 4.6 29.3 1.0 C21 A:SJF401 4.8 25.8 1.0

L.R.Blankenship, W.R.Liu. Mi-31 Bound to Sars-Cov-2 Mpro To Be Published.