Fluorine in PDB 5s2v: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z1186029914

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z1186029914, PDB code: 5s2v 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)	88.20 / 1.08
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	88.203, 88.203, 39.066, 90, 90, 90
R / Rfree (%)	16.6 / 19.6

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z1186029914 (pdb code 5s2v). 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 Z1186029914, PDB code: 5s2v:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z1186029914


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 Z1186029914 within 5.0Å range: probe atom residue distance (Å) B Occ B:F601 b:22.5 occ:0.48 F B:W0G601 0.0 22.5 0.5 C10 B:W0G601 1.3 21.9 0.5 C9 B:W0G601 2.3 22.0 0.5 C5 B:W0G601 2.4 21.8 0.5 N1 B:W0G601 2.8 21.5 0.5 CG2 B:VAL41 3.2 15.4 1.0 C3 B:W0G601 3.3 21.5 0.5 CB B:ASN40 3.4 14.2 1.0 O B:HOH846 3.4 40.0 1.0 N B:VAL41 3.5 14.4 1.0 N B:TYR42 3.5 14.8 1.0 OD1 B:ASN40 3.5 15.7 1.0 CG B:ASN40 3.6 14.8 1.0 O B:HOH814 3.6 16.5 1.0 C8 B:W0G601 3.6 22.1 0.5 C6 B:W0G601 3.6 22.1 0.5 C4 B:W0G601 3.7 21.4 0.5 C7 B:W0G601 4.1 22.3 0.5 O B:W0G601 4.1 21.2 0.5 CB B:TYR42 4.1 16.0 1.0 C B:ASN40 4.1 13.9 1.0 CA B:VAL41 4.1 14.6 1.0 CB B:VAL41 4.2 15.3 1.0 C B:VAL41 4.3 14.6 1.0 CA B:ASN40 4.3 13.9 1.0 ND2 B:ASN40 4.4 14.8 1.0 CA B:TYR42 4.4 15.0 1.0 CD2 B:TYR42 4.4 17.1 1.0 O B:HOH703 4.6 27.2 1.0 C2 B:W0G601 4.7 21.4 0.5 C1 B:W0G601 4.7 21.5 0.5 CG B:TYR42 4.8 16.3 1.0 O B:ASN40 5.0 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.