Fluorine in PDB 5slr: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z2073741691

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z2073741691, PDB code: 5slr 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)	25.68 / 1.86
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.827, 67.703, 138.736, 90, 90, 90
R / Rfree (%)	23.6 / 26.7

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z2073741691 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 Z2073741691 (pdb code 5slr). 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 Z2073741691, PDB code: 5slr:
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 Z2073741691


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 Z2073741691 within 5.0Å range: probe atom residue distance (Å) B Occ D:F606 b:101.5 occ:0.89 F1 D:LO6606 0.0 101.5 0.9 C9 D:LO6606 1.3 101.5 0.9 F2 D:LO6606 2.1 101.5 0.9 O3 D:LO6606 2.3 101.5 0.9 C8 D:LO6606 2.8 101.4 0.9 OG1 D:THR219 3.4 51.1 1.0 CB D:THR219 3.7 49.3 1.0 CG2 D:THR219 3.8 49.5 1.0 C7 D:LO6606 4.3 101.3 0.9 O D:HOH872 4.3 102.1 1.0 O D:HOH745 4.4 45.2 1.0 OD2 D:ASP234 4.7 49.1 1.0 C3 D:LO6606 4.8 101.1 0.9 N1 D:LO6606 5.0 101.2 0.9

Fluorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z2073741691


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 Z2073741691 within 5.0Å range: probe atom residue distance (Å) B Occ D:F606 b:101.5 occ:0.89 F2 D:LO6606 0.0 101.5 0.9 C9 D:LO6606 1.3 101.5 0.9 F1 D:LO6606 2.1 101.5 0.9 O3 D:LO6606 2.3 101.5 0.9 NH2 D:ARG163 3.4 41.3 1.0 C8 D:LO6606 3.5 101.4 0.9 O D:HOH745 3.6 45.2 1.0 OH D:TYR235 3.7 40.4 1.0 O D:HOH872 3.7 102.1 1.0 CE1 D:TYR235 4.0 38.4 1.0 CG2 D:THR219 4.1 49.5 1.0 CZ D:ARG163 4.3 42.8 1.0 CZ D:TYR235 4.3 38.9 1.0 OG1 D:THR219 4.4 51.1 1.0 OD2 D:ASP234 4.4 49.1 1.0 C7 D:LO6606 4.7 101.3 0.9 CB D:THR219 4.7 49.3 1.0 NH1 D:ARG163 4.9 41.8 1.0 NE D:ARG163 5.0 42.3 1.0

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