Chlorine in PDB 5sme: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z437584380

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z437584380, PDB code: 5sme was solved by N.Imprachim, Y.Yosaatmadja, F.Von-Delft, C.Bountra, O.Gileadi, J.A.Newman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.20 / 1.91
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.707, 67.862, 138.4, 90, 90, 90
R / Rfree (%)	21.3 / 25.5

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z437584380 also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z437584380 (pdb code 5sme). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z437584380, PDB code: 5sme:

Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z437584380


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 NSP14 in Complex with Z437584380 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl606 b:66.2 occ:0.85 CL1 D:I8D606 0.0 66.2 0.8 C1 D:I8D606 1.7 54.8 0.8 C2 D:I8D606 2.7 54.3 0.8 C6 D:I8D606 2.7 53.2 0.8 C3 D:I8D606 4.0 53.6 0.8 C5 D:I8D606 4.0 57.9 0.8 C4 D:I8D606 4.5 58.6 0.8

N.Imprachim, Y.Yosaatmadja, F.Von-Delft, C.Bountra, O.Gileadi, J.A.Newman. Pandda Analysis Group Deposition To Be Published.