Chlorine in PDB 5rth: Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156863

All present enzymatic activity of Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156863:
3.4.19.12;

The structure of Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156863, PDB code: 5rth was solved by G.J.Correy, I.D.Young, M.C.Thompson, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.38 / 1.00
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	88.755, 88.755, 39.501, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 17.2

The binding sites of Chlorine atom in the Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156863 (pdb code 5rth). 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 Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156863, PDB code: 5rth:

Chlorine binding site 1 out of 1 in the Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156863


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156863 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:34.3 occ:0.52 CL3 A:3BZ201 0.0 34.3 0.5 C3 A:3BZ201 1.8 33.5 0.5 C2 A:3BZ201 2.7 33.0 0.5 C4 A:3BZ201 2.8 33.1 0.5 H2 A:3BZ201 2.8 39.6 0.5 H4 A:3BZ201 2.9 39.8 0.5 HG22 A:ILE23 3.0 21.5 1.0 HD2 A:PHE156 3.1 34.9 1.0 OD1 A:ASP22 3.3 25.3 1.0 H A:ILE23 3.4 23.2 1.0 HE2 A:PHE156 3.5 35.5 1.0 CG A:ASP22 3.6 25.4 1.0 H A:VAL24 3.6 22.3 1.0 CD2 A:PHE156 3.6 29.1 1.0 HG23 A:VAL24 3.6 25.7 1.0 HB1 A:ALA52 3.7 15.8 1.0 OD2 A:ASP22 3.7 27.4 1.0 HB3 A:ALA52 3.7 15.8 1.0 CE2 A:PHE156 3.8 29.6 1.0 HA A:ASP22 3.8 24.8 1.0 O A:HOH351 3.9 19.3 1.0 CG2 A:ILE23 3.9 17.9 1.0 C1 A:3BZ201 4.0 32.5 0.5 CB A:ALA52 4.0 13.2 1.0 N A:ILE23 4.0 19.4 1.0 HB2 A:ALA52 4.0 15.8 1.0 C5 A:3BZ201 4.1 32.8 0.5 HG21 A:ILE23 4.2 21.5 1.0 HB A:VAL24 4.3 24.9 1.0 HG23 A:ILE23 4.3 21.5 1.0 HA A:VAL49 4.3 14.2 1.0 CG2 A:VAL24 4.4 21.4 1.0 N A:VAL24 4.4 18.6 1.0 CA A:ASP22 4.5 20.6 1.0 HG21 A:VAL24 4.5 25.7 1.0 C6 A:3BZ201 4.5 32.6 0.5 HB2 A:PHE156 4.6 30.9 1.0 HG22 A:VAL49 4.6 19.2 1.0 CB A:ASP22 4.6 22.9 1.0 C A:ASP22 4.6 19.2 1.0 CG A:PHE156 4.7 27.6 1.0 H5 A:3BZ201 4.8 39.4 0.5 CB A:ILE23 4.9 18.3 1.0 CB A:VAL24 4.9 20.7 1.0 HB A:ILE23 4.9 22.0 1.0 CA A:ILE23 4.9 18.7 1.0 HB2 A:ASP22 4.9 27.6 1.0 CZ A:PHE156 5.0 29.2 1.0

C.J.Correy, J.S.Fraser. Fragment Screen Against Sars-Cov-2 Nsp Macrodomain To Be Published.