Chlorine in PDB 9bst: Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor CID8009_5647

All present enzymatic activity of Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor CID8009_5647:
3.4.22.69;

The structure of Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor CID8009_5647, PDB code: 9bst 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)	46.73 / 1.60
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	51.49, 82.196, 89.105, 90, 96.81, 90
R / Rfree (%)	26.5 / 29.7

The binding sites of Chlorine atom in the Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor CID8009_5647 (pdb code 9bst). 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 Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor CID8009_5647, PDB code: 9bst:

Chlorine binding site 1 out of 1 in the Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor CID8009_5647


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Sars-Cov-2 Main Protease in Complex with Inhibitor CID8009_5647 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:40.7 occ:1.00 CL A:A5Z401 0.0 40.7 1.0 C6 A:A5Z401 1.8 33.5 1.0 C7 A:A5Z401 2.7 35.0 1.0 C5 A:A5Z401 2.8 33.0 1.0 C2 A:A5Z401 3.1 34.0 1.0 ND1 A:HIS41 3.3 31.9 1.0 C4 A:A5Z401 3.3 28.7 1.0 C3 A:A5Z401 3.4 29.9 1.0 CG2 A:THR25 3.6 25.5 1.0 CD2 A:LEU27 3.6 17.5 1.0 O1 A:A5Z401 3.7 26.3 1.0 O A:HIS41 4.0 25.4 1.0 N A:A5Z401 4.0 34.9 1.0 C8 A:A5Z401 4.0 33.2 1.0 C10 A:A5Z401 4.1 33.6 1.0 CE1 A:HIS41 4.2 36.9 1.0 CG A:HIS41 4.2 31.2 1.0 C A:HIS41 4.2 24.6 1.0 SG A:CYS145 4.2 23.4 1.0 CB A:HIS41 4.3 25.0 1.0 C1 A:A5Z401 4.4 28.4 1.0 N A:VAL42 4.5 22.4 1.0 C9 A:A5Z401 4.6 34.1 1.0 CA A:VAL42 4.6 20.9 1.0 O A:A5Z401 4.7 33.1 1.0 CB A:CYS145 4.7 18.5 1.0 CG A:LEU27 4.8 17.4 1.0 CB A:LEU27 4.9 19.5 1.0 CA A:HIS41 4.9 23.1 1.0 O A:HOH632 5.0 27.9 1.0 CB A:THR25 5.0 29.3 1.0

L.R.Blankenship, W.R.Liu. Structure of the Sars-Cov-2 Main Protease To Be Published.