Fluorine in PDB 5slw: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1310876699

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1310876699, PDB code: 5slw 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)	69.21 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.776, 68.384, 138.415, 90, 90, 90
R / Rfree (%)	23.8 / 27.3

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1310876699 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 Z1310876699 (pdb code 5slw). 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 Z1310876699, PDB code: 5slw:
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 Z1310876699


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 Z1310876699 within 5.0Å range: probe atom residue distance (Å) B Occ D:F606 b:60.7 occ:0.80 F01 D:U0V606 0.0 60.7 0.8 C02 D:U0V606 1.4 60.9 0.8 C03 D:U0V606 2.3 60.9 0.8 C07 D:U0V606 2.4 61.1 0.8 N10 D:U0V606 2.7 61.1 0.8 C08 D:U0V606 2.9 61.2 0.8 O D:HOH830 3.0 43.2 1.0 ND2 D:ASN408 3.4 47.2 1.0 O D:SER407 3.6 40.8 1.0 C04 D:U0V606 3.6 61.1 0.8 C06 D:U0V606 3.6 61.3 0.8 CD2 D:LEU177 3.7 40.1 1.0 CA D:ASN408 3.9 38.8 1.0 C11 D:U0V606 4.0 61.1 0.8 C D:SER407 4.0 40.3 1.0 C05 D:U0V606 4.1 61.3 0.8 O09 D:U0V606 4.1 61.3 0.8 N D:ASN408 4.2 39.3 1.0 CD1 D:LEU177 4.2 38.8 1.0 CG D:LEU177 4.3 38.9 1.0 CG D:ASN408 4.5 46.5 1.0 C12 D:U0V606 4.7 60.9 0.8 CB D:ASN408 4.7 40.8 1.0 C D:ASN408 4.9 37.1 1.0

Fluorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1310876699


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 Z1310876699 within 5.0Å range: probe atom residue distance (Å) B Occ D:F607 b:61.9 occ:0.84 F01 D:U0V607 0.0 61.9 0.8 C02 D:U0V607 1.4 61.7 0.8 C03 D:U0V607 2.3 61.5 0.8 C07 D:U0V607 2.4 61.7 0.8 N10 D:U0V607 2.7 62.4 0.8 C08 D:U0V607 2.9 62.0 0.8 O D:HOH900 3.3 45.9 1.0 ND2 D:ASN386 3.5 42.6 1.0 C04 D:U0V607 3.6 61.2 0.8 C06 D:U0V607 3.6 61.4 0.8 O D:HOH1078 3.7 54.8 1.0 CG D:ASN386 4.0 42.5 1.0 C11 D:U0V607 4.0 62.8 0.8 C05 D:U0V607 4.1 61.2 0.8 O09 D:U0V607 4.1 61.8 0.8 CB D:ASN386 4.2 38.9 1.0 O D:HOH821 4.3 41.9 1.0 O D:HOH793 4.5 45.3 1.0 OD1 D:ASN386 4.7 44.3 1.0 C12 D:U0V607 4.7 62.9 0.8 CE2 D:PHE506 4.7 36.6 1.0 CZ D:PHE506 4.8 36.7 1.0 C18 D:U0V607 4.8 62.1 0.8

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