Fluorine in PDB 5s30: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z65532537

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z65532537, PDB code: 5s30 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)	88.36 / 1.19
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	88.363, 88.363, 39.096, 90, 90, 90
R / Rfree (%)	16.5 / 20.7

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z65532537 (pdb code 5s30). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z65532537, PDB code: 5s30:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z65532537


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z65532537 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:20.3 occ:0.68 F A:W0P501 0.0 20.3 0.7 C7 A:W0P501 1.3 19.6 0.7 C6 A:W0P501 2.3 19.9 0.7 C2 A:W0P501 2.3 19.4 0.7 O A:W0P501 2.6 18.7 0.7 O A:HOH674 3.1 18.6 1.0 CD2 A:LEU160 3.4 19.4 1.0 C5 A:W0P501 3.6 19.8 0.7 C3 A:W0P501 3.6 19.6 0.7 C1 A:W0P501 4.1 18.1 0.7 C4 A:W0P501 4.1 19.7 0.7 CB A:LEU160 4.1 19.4 1.0 CG A:LEU160 4.2 19.4 1.0 O2 A:W0P501 4.4 17.1 0.7 O A:HOH750 4.4 29.1 1.0 CB A:ASP157 4.5 20.4 1.0 O A:HOH839 4.6 47.9 1.0 CG A:ASP157 4.6 21.0 1.0 CD1 A:LEU160 4.6 18.8 1.0 OD1 A:ASP157 4.7 21.1 1.0 C A:W0P501 4.7 18.2 0.7 C8 A:W0P501 4.8 18.0 0.7

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.