Chlorine in PDB 8ty4: Mi-30 Bound to Mpro of Sars-Cov-2

All present enzymatic activity of Mi-30 Bound to Mpro of Sars-Cov-2:
3.4.22.69;

The structure of Mi-30 Bound to Mpro of Sars-Cov-2, PDB code: 8ty4 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)	24.31 / 1.85
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	51.706, 80.89, 90.033, 90, 96.88, 90
R / Rfree (%)	22 / 23.7

The binding sites of Chlorine atom in the Mi-30 Bound to Mpro of Sars-Cov-2 (pdb code 8ty4). 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-30 Bound to Mpro of Sars-Cov-2, PDB code: 8ty4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Mi-30 Bound to Mpro of Sars-Cov-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mi-30 Bound to Mpro of Sars-Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:53.4 occ:1.00 CL1 A:SO0401 0.0 53.4 1.0 C9 A:SO0401 1.8 35.5 1.0 C7 A:SO0401 2.7 35.9 1.0 C3 A:SO0401 2.9 32.1 1.0 O A:HOH551 3.1 32.9 1.0 C11 A:SO0401 3.2 26.9 1.0 O38 A:SO0401 3.2 25.0 1.0 C12 A:SO0401 3.3 26.1 1.0 O1 A:SO0401 3.3 30.6 1.0 O33 A:SO0401 3.6 22.0 1.0 N13 A:SO0401 3.8 27.5 1.0 C21 A:SO0401 3.8 26.4 1.0 C6 A:SO0401 4.0 39.6 1.0 C15 A:SO0401 4.1 23.2 1.0 C4 A:SO0401 4.1 29.8 1.0 C22 A:SO0401 4.2 24.5 1.0 OD1 A:ASN142 4.4 37.5 1.0 C13 A:SO0401 4.4 27.2 1.0 C20 A:SO0401 4.5 18.7 1.0 C5 A:SO0401 4.6 31.2 1.0 C14 A:SO0401 4.6 23.8 1.0

Chlorine binding site 2 out of 2 in the Mi-30 Bound to Mpro of Sars-Cov-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mi-30 Bound to Mpro of Sars-Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:65.7 occ:1.00 CL2 A:SO0401 0.0 65.7 1.0 C6 A:SO0401 1.8 39.6 1.0 C7 A:SO0401 2.8 35.9 1.0 C5 A:SO0401 2.8 31.2 1.0 C4 A:SO0401 4.1 29.8 1.0 C9 A:SO0401 4.1 35.5 1.0 OE1 A:GLU166 4.1 27.1 1.0 C3 A:SO0401 4.6 32.1 1.0 CD A:GLU166 4.8 26.2 1.0 C22 A:SO0401 4.8 24.5 1.0 O A:HOH524 4.9 28.6 1.0

L.R.Blankenship, W.R.Liu. Mi-30 Bound to Sars-Cov-2 Mpro To Be Published.