Chlorine in PDB 7aqe: Structure of Sars-Cov-2 Main Protease Bound to Unc-2327

All present enzymatic activity of Structure of Sars-Cov-2 Main Protease Bound to Unc-2327:
2.7.7.48; 3.4.19.12; 3.4.22.69; 3.6.4.12; 3.6.4.13;

The structure of Structure of Sars-Cov-2 Main Protease Bound to Unc-2327, PDB code: 7aqe was solved by S.Guenther, P.Reinke, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.60 / 1.39
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	113.501, 53.153, 44.778, 90, 103.17, 90
R / Rfree (%)	19.7 / 22.3

The binding sites of Chlorine atom in the Structure of Sars-Cov-2 Main Protease Bound to Unc-2327 (pdb code 7aqe). 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 Sars-Cov-2 Main Protease Bound to Unc-2327, PDB code: 7aqe:

Chlorine binding site 1 out of 1 in the Structure of Sars-Cov-2 Main Protease Bound to Unc-2327


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Sars-Cov-2 Main Protease Bound to Unc-2327 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:27.8 occ:0.54 H A:ALA285 2.4 27.6 0.6 H A:ALA285 2.4 27.6 0.5 HG A:LEU286 2.6 30.6 1.0 N A:ALA285 3.2 23.0 1.0 OG A:SER284 3.2 23.3 0.5 H A:LEU286 3.2 26.8 1.0 HA A:SER284 3.3 24.6 0.5 HA A:SER284 3.3 24.5 0.6 HB3 A:SER284 3.4 26.8 0.6 HB3 A:ALA285 3.5 31.0 1.0 CG A:LEU286 3.5 25.5 1.0 HG A:SER284 3.7 28.0 0.5 N A:LEU286 3.8 22.4 1.0 HD12 A:LEU286 3.8 37.3 1.0 CA A:SER284 3.9 20.5 0.5 CA A:SER284 3.9 20.4 0.6 HD11 A:LEU286 3.9 37.3 1.0 CB A:SER284 4.0 22.3 0.5 CA A:ALA285 4.0 22.3 1.0 CD1 A:LEU286 4.0 31.1 1.0 C A:SER284 4.0 25.3 0.5 C A:SER284 4.0 25.3 0.6 CB A:SER284 4.1 22.3 0.6 HD21 A:LEU286 4.1 42.3 1.0 HB2 A:SER284 4.1 26.8 0.5 C A:ALA285 4.2 23.4 1.0 CB A:ALA285 4.2 25.9 1.0 CD2 A:LEU286 4.2 35.2 1.0 HD23 A:LEU286 4.3 42.3 1.0 OE2 A:GLU288 4.4 35.4 1.0 OG A:SER284 4.5 24.1 0.6 CB A:LEU286 4.5 27.1 1.0 HB2 A:ALA285 4.6 31.0 1.0 CA A:LEU286 4.7 23.7 1.0 HB3 A:LEU286 4.7 32.5 1.0 HG A:SER284 4.8 28.9 0.6 HB3 A:SER284 4.9 26.8 0.5 HA A:ALA285 4.9 26.8 1.0 HB2 A:SER284 4.9 26.8 0.6 HB1 A:ALA285 4.9 31.0 1.0 HD13 A:LEU286 5.0 37.3 1.0

S.Guenther, P.Reinke, A.Meents. Structure of Sars-Cov-2 Main Protease Bound to Unc-2327 To Be Published.