Fluorine in PDB 5slk: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1354370680

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1354370680, PDB code: 5slk 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)	69.38 / 2.21
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.596, 67.536, 138.752, 90, 90, 90
R / Rfree (%)	22 / 28.5

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1354370680 also contains other interesting chemical elements:

Zinc	(Zn)	3 atoms
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1354370680 (pdb code 5slk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1354370680, PDB code: 5slk:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1354370680


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 Z1354370680 within 5.0Å range: probe atom residue distance (Å) B Occ D:F606 b:79.0 occ:0.78 F1 D:LKL606 0.0 79.0 0.8 C8 D:LKL606 1.3 69.3 0.8 C7 D:LKL606 2.3 70.4 0.8 C4 D:LKL606 2.4 63.9 0.8 C2 D:LKL606 2.7 60.2 0.8 N1 D:LKL606 2.9 59.3 0.8 CB D:ASN306 3.5 53.0 1.0 C6 D:LKL606 3.6 65.6 0.8 N2 D:LKL606 3.6 60.9 0.8 C3 D:LKL606 3.7 60.8 0.8 CG D:ASN306 3.7 59.2 1.0 CA D:ASN306 3.7 53.4 1.0 O D:HOH866 3.8 61.0 1.0 O D:ASN306 3.8 50.2 1.0 OD1 D:ASN306 3.9 54.9 1.0 C5 D:LKL606 4.1 61.1 0.8 C D:ASN306 4.2 47.4 1.0 O D:HOH960 4.3 45.5 1.0 C1 D:LKL606 4.3 57.7 0.8 O D:HOH965 4.4 57.1 1.0 ND2 D:ASN306 4.4 57.9 1.0 NH1 D:ARG310 4.4 97.9 1.0 O D:HOH955 4.4 46.6 1.0 O1 D:LKL606 4.4 61.7 0.8 CB D:CYS309 4.7 50.7 1.0

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