Chlorine in PDB 8ty5: Mi-14 Bound to Mpro of Sars-Cov-2

All present enzymatic activity of Mi-14 Bound to Mpro of Sars-Cov-2:
3.4.22.69;

The structure of Mi-14 Bound to Mpro of Sars-Cov-2, PDB code: 8ty5 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)	24.28 / 1.85
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	51.659, 80.406, 89.863, 90, 96.95, 90
R / Rfree (%)	22.7 / 25.3

The binding sites of Chlorine atom in the Mi-14 Bound to Mpro of Sars-Cov-2 (pdb code 8ty5). 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-14 Bound to Mpro of Sars-Cov-2, PDB code: 8ty5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Mi-14 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-14 Bound to Mpro of Sars-Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:57.9 occ:1.00 CL1 A:SQ3401 0.0 57.9 1.0 C9 A:SQ3401 1.8 36.1 1.0 C3 A:SQ3401 2.8 36.4 1.0 C7 A:SQ3401 2.8 29.7 1.0 O1 A:SQ3401 3.0 38.0 1.0 C22 A:SQ3401 3.6 24.6 1.0 C21 A:SQ3401 3.8 24.9 1.0 O33 A:SQ3401 4.0 23.3 1.0 C4 A:SQ3401 4.1 37.9 1.0 C6 A:SQ3401 4.1 35.8 1.0 C11 A:SQ3401 4.2 27.7 1.0 C12 A:SQ3401 4.2 27.2 1.0 N23 A:SQ3401 4.6 23.2 1.0 C5 A:SQ3401 4.6 33.2 1.0 O38 A:SQ3401 4.6 26.2 1.0 C20 A:SQ3401 4.6 18.9 1.0 O A:HOH548 4.8 37.8 1.0 N13 A:SQ3401 5.0 27.0 1.0

Chlorine binding site 2 out of 2 in the Mi-14 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-14 Bound to Mpro of Sars-Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:53.0 occ:1.00 CL2 A:SQ3401 0.0 53.0 1.0 C6 A:SQ3401 1.8 35.8 1.0 OE2 A:GLU166 2.7 26.4 1.0 C5 A:SQ3401 2.8 33.2 1.0 C7 A:SQ3401 2.9 29.7 1.0 O A:LEU167 3.2 29.6 1.0 CD A:GLU166 3.5 25.1 1.0 CG A:GLU166 3.6 25.0 1.0 O A:HOH671 3.7 39.5 1.0 O A:PRO168 4.0 37.5 1.0 CA A:PRO168 4.0 28.4 1.0 C A:LEU167 4.1 27.1 1.0 C4 A:SQ3401 4.1 37.9 1.0 N A:GLY170 4.1 27.8 1.0 C9 A:SQ3401 4.1 36.1 1.0 C A:PRO168 4.2 28.4 1.0 CA A:GLY170 4.3 22.0 1.0 N A:PRO168 4.5 28.6 1.0 CB A:GLU166 4.6 20.5 1.0 C3 A:SQ3401 4.6 36.4 1.0 OE1 A:GLU166 4.6 24.7 1.0

L.R.Blankenship, W.R.Liu. Mi-14 Bound to Sars-Cov-2 Mpro To Be Published.