Fluorine in PDB 5sa6: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Nendou in Complex with Z2856434783

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Nendou in Complex with Z2856434783, PDB code: 5sa6 was solved by A.S.Godoy, A.Douangamath, A.M.Nakamura, A.Dias, T.Krojer, G.D.Noske, V.O.Gawiljuk, R.S.Fernandes, M.Fairhead, A.Powell, L.Dunnet, A.Aimon, D.Fearon, J.Brandao-Neto, R.Skyner, F.Von Delft, G.Oliva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	130.45 / 2.52
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	150.629, 150.629, 110.583, 90, 90, 120
R / Rfree (%)	19.7 / 22.2

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Nendou in Complex with Z2856434783 (pdb code 5sa6). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Nendou in Complex with Z2856434783, PDB code: 5sa6:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Nendou in Complex with Z2856434783


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 Nendou in Complex with Z2856434783 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:48.2 occ:0.82 F1 A:O3G401 0.0 48.2 0.8 C1 A:O3G401 1.3 48.0 0.8 C2 A:O3G401 2.3 47.8 0.8 C14 A:O3G401 2.3 48.0 0.8 CG1 A:ILE85 3.4 48.3 1.0 CB A:ILE85 3.5 47.6 1.0 C13 A:O3G401 3.6 47.8 0.8 C3 A:O3G401 3.6 47.6 0.8 ND1 A:HIS95 3.8 58.4 1.0 CD1 A:LEU72 3.9 51.2 1.0 CG2 A:ILE85 3.9 47.8 1.0 CG1 A:VAL77 3.9 49.1 1.0 CB A:ALA80 4.0 48.7 1.0 C4 A:O3G401 4.1 47.6 0.8 CB A:ALA94 4.2 48.7 1.0 CE1 A:HIS95 4.4 58.6 1.0 N A:ALA80 4.6 48.9 1.0 CG A:HIS95 4.7 56.5 1.0 CA A:ALA80 4.7 49.1 1.0 C A:ILE79 4.7 49.1 1.0 O A:ILE79 4.7 50.0 1.0 CB A:PHE122 4.7 45.8 1.0 CD1 A:ILE85 4.8 49.4 1.0 CA A:ILE85 4.8 47.9 1.0 CB A:LEU72 4.9 51.8 1.0 CB A:VAL77 4.9 49.1 1.0 CB A:HIS95 5.0 53.3 1.0 CG A:LEU72 5.0 51.3 1.0

Fluorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Nendou in Complex with Z2856434783


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Nendou in Complex with Z2856434783 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:40.9 occ:0.80 F1 B:O3G401 0.0 40.9 0.8 C1 B:O3G401 1.3 41.4 0.8 C14 B:O3G401 2.3 41.8 0.8 C2 B:O3G401 2.3 41.5 0.8 CG1 B:ILE85 3.4 49.0 1.0 CB B:ILE85 3.4 49.0 1.0 C13 B:O3G401 3.6 42.4 0.8 C3 B:O3G401 3.6 42.0 0.8 CD1 B:LEU72 3.8 49.2 1.0 CG2 B:ILE85 3.9 49.1 1.0 ND1 B:HIS95 3.9 65.8 1.0 CB B:ALA94 4.1 51.8 1.0 C4 B:O3G401 4.1 42.5 0.8 CG1 B:VAL77 4.2 54.6 1.0 CB B:ALA80 4.3 56.3 1.0 CE1 B:HIS95 4.4 66.0 1.0 CB B:LEU72 4.6 49.7 1.0 CD1 B:ILE85 4.7 50.0 1.0 CG B:HIS95 4.7 63.6 1.0 CG B:LEU72 4.7 49.1 1.0 CA B:ILE85 4.8 49.4 1.0 N B:ALA80 4.8 56.0 1.0 CB B:PHE122 4.9 56.3 1.0 CA B:ALA80 4.9 56.5 1.0 C B:ILE79 4.9 55.9 1.0 O B:ILE79 5.0 55.9 1.0

A.S.Godoy, A.Douangamath, A.M.Nakamura, A.Dias, T.Krojer, G.D.Noske, V.O.Gawiljuk, R.S.Fernandes, M.Fairhead, A.Powell, L.Dunnet, A.Aimon, D.Fearon, J.Brandao-Neto, R.Skyner, F.Von Delft, G.Oliva. Pandda Analysis Group Deposition To Be Published.