Fluorine in PDB 5slz: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z2072621991

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z2072621991, PDB code: 5slz 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)	60.87 / 2.54
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.7, 67.76, 138.54, 90, 90, 90
R / Rfree (%)	22.2 / 29.4

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z2072621991 also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z2072621991 (pdb code 5slz). 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 NSP14 in Complex with Z2072621991, PDB code: 5slz:
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 NSP14 in Complex with Z2072621991


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 NSP14 in Complex with Z2072621991 within 5.0Å range: probe atom residue distance (Å) B Occ D:F606 b:86.5 occ:0.76 F1 D:LQP606 0.0 86.5 0.8 C1 D:LQP606 1.3 86.5 0.8 F2 D:LQP606 2.1 86.8 0.8 O1 D:LQP606 2.3 86.4 0.8 C2 D:LQP606 3.6 86.2 0.8 O2 D:LQP606 4.3 86.0 0.8 C3 D:LQP606 4.4 86.0 0.8

Fluorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z2072621991


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 NSP14 in Complex with Z2072621991 within 5.0Å range: probe atom residue distance (Å) B Occ D:F606 b:86.8 occ:0.76 F2 D:LQP606 0.0 86.8 0.8 C1 D:LQP606 1.3 86.5 0.8 F1 D:LQP606 2.1 86.5 0.8 O1 D:LQP606 2.3 86.4 0.8 C2 D:LQP606 2.8 86.2 0.8 NZ D:LYS196 3.6 63.9 1.0 O2 D:LQP606 3.7 86.0 0.8 C3 D:LQP606 3.7 86.0 0.8 CE D:LYS196 4.2 62.5 1.0 CD D:LYS196 4.6 59.1 1.0 OH D:TYR197 4.8 62.8 1.0

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