Fluorine in PDB 5sm4: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z2856434944

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z2856434944, PDB code: 5sm4 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)	69.26 / 2.16
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.54, 67.42, 138.52, 90, 90, 90
R / Rfree (%)	22.9 / 27.1

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z2856434944 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 Z2856434944 (pdb code 5sm4). 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 Z2856434944, PDB code: 5sm4:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z2856434944


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 Z2856434944 within 5.0Å range: probe atom residue distance (Å) B Occ D:F606 b:47.1 occ:1.00 F1 D:AWD606 0.0 47.1 1.0 C10 D:AWD606 1.4 47.4 1.0 C11 D:AWD606 2.3 47.4 1.0 C9 D:AWD606 2.3 47.4 1.0 CB D:HIS330 3.4 40.5 1.0 ND1 D:HIS330 3.4 44.8 1.0 CG D:HIS330 3.4 43.1 1.0 CB D:PHE377 3.5 53.6 1.0 C12 D:AWD606 3.6 47.4 1.0 C8 D:AWD606 3.6 47.4 1.0 CD1 D:ILE332 3.8 41.7 1.0 CE1 D:PHE367 3.8 50.5 1.0 CA D:PHE377 3.8 52.7 1.0 CE1 D:TYR351 4.0 40.3 1.0 CZ D:TYR351 4.1 41.6 1.0 CE1 D:HIS330 4.1 44.6 1.0 C7 D:AWD606 4.1 47.4 1.0 CD2 D:HIS330 4.1 44.0 1.0 SG D:CYS382 4.3 42.0 1.0 OH D:TYR351 4.3 43.5 1.0 CD1 D:PHE367 4.3 50.0 1.0 CD1 D:TYR351 4.4 39.5 1.0 CG1 D:ILE332 4.4 41.1 1.0 N D:PHE377 4.5 51.9 1.0 NE2 D:HIS330 4.5 45.1 1.0 CZ D:PHE367 4.6 50.6 1.0 CE2 D:TYR351 4.6 40.7 1.0 CG D:PHE377 4.8 55.5 1.0 CA D:HIS330 4.8 39.9 1.0 CG D:TYR351 4.9 38.9 1.0 CD2 D:TYR351 4.9 39.8 1.0

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