Chlorine in PDB 5ruf: Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000016989831

All present enzymatic activity of Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000016989831:
3.4.19.12;

The structure of Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000016989831, PDB code: 5ruf 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)	39.67 / 1.00
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	88.709, 88.709, 39.416, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 16.7

The binding sites of Chlorine atom in the Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000016989831 (pdb code 5ruf). 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 ZINC000016989831, PDB code: 5ruf:

Chlorine binding site 1 out of 1 in the Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000016989831


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 ZINC000016989831 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:43.0 occ:0.55 CL A:54T201 0.0 43.0 0.6 C5 A:54T201 1.8 42.4 0.6 O A:HOH495 2.4 25.3 1.0 H2 A:54T201 2.7 50.2 0.6 C A:54T201 2.7 41.8 0.6 C4 A:54T201 2.8 42.1 0.6 HG23 A:VAL49 2.9 18.2 1.0 H1 A:54T201 2.9 50.6 0.6 O A:HOH448 3.2 17.5 1.0 O A:HOH447 3.2 15.3 1.0 O A:HOH528 3.4 33.9 1.0 CG2 A:VAL49 3.7 15.2 1.0 HG22 A:VAL49 3.7 18.2 1.0 HA3 A:GLY130 3.9 17.2 1.0 HB3 A:PHE156 4.0 30.5 1.0 C1 A:54T201 4.0 41.5 0.6 HG21 A:VAL49 4.0 18.2 1.0 HB2 A:PHE156 4.0 30.5 1.0 H A:VAL49 4.1 14.2 1.0 C3 A:54T201 4.1 41.8 0.6 O A:HOH345 4.4 17.1 1.0 O A:HOH451 4.4 13.5 1.0 CB A:PHE156 4.4 25.4 1.0 N A:VAL49 4.5 11.9 1.0 HA2 A:GLY48 4.5 16.1 1.0 C2 A:54T201 4.5 41.4 0.6 O A:HOH319 4.6 22.2 1.0 O A:HOH513 4.7 27.3 1.0 CA A:GLY130 4.7 14.3 1.0 HD1 A:PHE156 4.7 34.1 1.0 H5 A:54T201 4.7 49.7 0.6 HA2 A:GLY130 4.8 17.2 1.0 HA A:VAL49 4.9 14.1 1.0 CB A:VAL49 4.9 13.1 1.0 O A:HOH400 4.9 20.8 1.0 CG A:PHE156 4.9 27.5 1.0

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