Chlorine in PDB 5s4j: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with SF054

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with SF054, PDB code: 5s4j was solved by D.Fearon, M.Schuller, V.L.Rangel, A.Douangamath, J.G.M.Rack, K.Zhu, A.Aimon, J.Brandao-Neto, A.Dias, L.Dunnet, T.J.Gorrie-Stone, A.J.Powell, T.Krojer, R.Skyner, W.Thompson, I.Ahel, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	88.13 / 1.12
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	88.129, 88.129, 38.957, 90, 90, 90
R / Rfree (%)	17.1 / 20.2

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with SF054 (pdb code 5s4j). 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 Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with SF054, PDB code: 5s4j:

Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with SF054


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with SF054 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:25.5 occ:0.62 CL A:W41401 0.0 25.5 0.6 C A:W41401 1.7 24.3 0.6 N4 A:W41401 2.6 24.4 0.6 C1 A:W41401 2.7 24.8 0.6 CB A:ALA52 3.8 13.6 1.0 N3 A:W41401 3.8 24.0 0.6 C2 A:W41401 3.9 24.7 0.6 O A:HOH663 4.4 38.7 1.0 C3 A:W41401 4.4 24.4 0.6 CA A:ALA52 4.8 13.2 1.0 N2 A:W41401 4.9 24.3 0.6 CZ A:PHE156 4.9 23.4 1.0 OD2 A:ASP22 5.0 23.4 1.0 O A:HOH538 5.0 20.3 1.0

D.Fearon, M.Schuller, V.L.Rangel, A.Douangamath, J.G.M.Rack, K.Zhu, A.Aimon, J.Brandao-Neto, A.Dias, L.Dunnet, T.J.Gorrie-Stone, A.J.Powell, T.Krojer, R.Skyner, W.Thompson, I.Ahel, F.Von Delft. Pandda Analysis Group Deposition To Be Published.