Bromine in PDB 5s42: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Ncl-00023833

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Ncl-00023833, PDB code: 5s42 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)	88.32 / 1.09
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	88.318, 88.318, 39.084, 90, 90, 90
R / Rfree (%)	16.5 / 19.5

The binding sites of Bromine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Ncl-00023833 (pdb code 5s42). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Ncl-00023833, PDB code: 5s42:

Bromine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Ncl-00023833


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Ncl-00023833 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:51.5 occ:0.72 BR1 A:HH8401 0.0 51.5 0.7 C1 A:HH8401 1.9 33.9 0.7 C2 A:HH8401 2.8 33.3 0.7 O A:HOH714 2.8 20.3 1.0 C8 A:HH8401 2.8 30.7 0.7 C7 A:HH8401 3.2 28.5 0.7 N A:VAL49 3.3 12.2 1.0 C A:GLY48 3.4 13.0 1.0 O A:HOH613 3.5 13.8 1.0 CA A:GLY48 3.5 13.2 1.0 CG2 A:VAL49 3.8 13.2 1.0 CA A:VAL49 4.0 12.4 1.0 C3 A:HH8401 4.1 30.7 0.7 C4 A:HH8401 4.1 28.9 0.7 O A:GLY48 4.1 12.8 1.0 O A:HOH658 4.4 25.0 1.0 O A:HOH642 4.4 13.1 1.0 CB A:VAL49 4.5 12.6 1.0 C6 A:HH8401 4.6 27.0 0.7 N1 A:HH8401 4.6 29.3 0.7 O A:HOH700 4.8 18.3 1.0 N A:GLY48 4.8 13.4 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.