Chlorine in PDB 5sa8: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Nendou in Complex with Z68299550

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Nendou in Complex with Z68299550, PDB code: 5sa8 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)	130.04 / 2.30
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	150.16, 150.16, 111.857, 90, 90, 120
R / Rfree (%)	19.1 / 22.2

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Nendou in Complex with Z68299550 (pdb code 5sa8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Nendou in Complex with Z68299550, PDB code: 5sa8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Nendou in Complex with Z68299550


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 Nendou in Complex with Z68299550 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:102.5 occ:0.95 CL15 A:JOV401 0.0 102.5 0.9 C13 A:JOV401 1.8 103.0 0.9 C14 A:JOV401 2.7 103.3 0.9 C12 A:JOV401 2.8 103.0 0.9 OE2 A:GLU264 2.9 83.2 1.0 O A:LEU265 3.1 56.0 1.0 O A:HOH711 3.5 81.5 1.0 N A:LEU265 3.6 55.6 1.0 CD A:GLU264 3.7 79.4 1.0 O A:HOH758 3.7 46.3 1.0 C A:LEU265 3.9 54.8 1.0 C09 A:JOV401 4.0 103.8 0.9 C11 A:JOV401 4.1 103.5 0.9 CA A:LEU265 4.2 54.5 1.0 OE1 A:GLU264 4.4 81.3 1.0 CG A:GLU264 4.4 68.0 1.0 CB A:LEU265 4.4 53.8 1.0 C10 A:JOV401 4.6 103.9 0.9 C A:GLU264 4.6 57.0 1.0 CA A:GLU264 4.6 58.2 1.0 N A:GLU266 4.9 54.3 1.0

Chlorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Nendou in Complex with Z68299550


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Nendou in Complex with Z68299550 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:102.6 occ:0.89 CL15 B:JOV401 0.0 102.6 0.9 C13 B:JOV401 1.8 103.1 0.9 C14 B:JOV401 2.7 103.7 0.9 C12 B:JOV401 2.8 102.9 0.9 O B:LEU265 2.9 51.2 1.0 OE1 B:GLU264 3.1 78.1 1.0 O B:HOH582 3.2 63.6 1.0 O B:HOH756 3.5 33.2 1.0 N B:LEU265 3.6 51.0 1.0 O B:HOH746 3.6 60.7 1.0 CD B:GLU264 3.8 74.7 1.0 C B:LEU265 3.8 50.4 1.0 C09 B:JOV401 4.0 104.7 0.9 C11 B:JOV401 4.1 103.4 0.9 CA B:LEU265 4.2 50.3 1.0 CB B:LEU265 4.3 49.9 1.0 OE2 B:GLU264 4.3 77.5 1.0 C10 B:JOV401 4.5 104.4 0.9 CG B:GLU264 4.6 63.5 1.0 C B:GLU264 4.6 52.2 1.0 CA B:GLU264 4.7 53.2 1.0 N B:GLU266 4.9 49.9 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.