Fluorine in PDB 5rhh: Pandda Analysis Group Deposition -- Crystal Structure of Zika Virus NS3 Helicase in Complex with Z1515654336

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Zika Virus NS3 Helicase in Complex with Z1515654336:
3.4.21.91; 3.6.1.15; 3.6.4.13;

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Zika Virus NS3 Helicase in Complex with Z1515654336, PDB code: 5rhh was solved by A.S.Godoy, N.C.M.R.Mesquita, G.Oliva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.22 / 1.59
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.710, 68.815, 57.266, 90.00, 92.30, 90.00
R / Rfree (%)	17 / 21.5

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Zika Virus NS3 Helicase in Complex with Z1515654336 (pdb code 5rhh). 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 Zika Virus NS3 Helicase in Complex with Z1515654336, PDB code: 5rhh:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Zika Virus NS3 Helicase in Complex with Z1515654336


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 Zika Virus NS3 Helicase in Complex with Z1515654336 within 5.0Å range: probe atom residue distance (Å) B Occ A:F705 b:20.6 occ:0.60 F A:UQJ705 0.0 20.6 0.6 C5 A:UQJ705 1.4 21.2 0.6 F1 A:UQJ705 2.2 21.3 0.6 C4 A:UQJ705 2.4 19.4 0.6 N2 A:UQJ705 3.0 20.6 0.6 C2 A:UQJ705 3.6 18.6 0.6 O A:HOH801 3.9 42.8 1.0 N A:UQJ705 4.2 19.6 0.6 C1 A:UQJ705 4.5 18.2 0.6 C3 A:UQJ705 4.5 17.2 0.6

Fluorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Zika Virus NS3 Helicase in Complex with Z1515654336


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 Zika Virus NS3 Helicase in Complex with Z1515654336 within 5.0Å range: probe atom residue distance (Å) B Occ A:F705 b:21.3 occ:0.60 F1 A:UQJ705 0.0 21.3 0.6 C5 A:UQJ705 1.3 21.2 0.6 F A:UQJ705 2.2 20.6 0.6 O A:HOH801 2.3 42.8 1.0 C4 A:UQJ705 2.3 19.4 0.6 C2 A:UQJ705 3.0 18.6 0.6 C3 A:UQJ705 3.3 17.2 0.6 N2 A:UQJ705 3.6 20.6 0.6 N1 A:UQJ705 3.8 15.2 0.6 O A:UQJ705 4.1 18.3 0.6 C1 A:UQJ705 4.3 18.2 0.6 N A:UQJ705 4.5 19.6 0.6

A.S.Godoy, N.C.M.R.Mesquita, G.Oliva. Pandda Analysis Group Deposition To Be Published.