Fluorine in PDB 7hks: Group Deposition For Crystallographic Fragment Screening of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 -- Crystal Structure of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 in Complex with Z198194394 (DNV2_NS5A-X0612)

The structure of Group Deposition For Crystallographic Fragment Screening of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 -- Crystal Structure of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 in Complex with Z198194394 (DNV2_NS5A-X0612), PDB code: 7hks was solved by M.Saini, A.Chopra, J.C.Aschenbrenner, P.G.Marples, B.H.Balcomb, D.Fearon, F.Von Delft, F.X.Ruiz, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.95 / 1.56
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.192, 115.77, 148.051, 90, 90, 90
R / Rfree (%)	20.6 / 23.2

The structure of Group Deposition For Crystallographic Fragment Screening of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 -- Crystal Structure of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 in Complex with Z198194394 (DNV2_NS5A-X0612) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Fluorine atom in the Group Deposition For Crystallographic Fragment Screening of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 -- Crystal Structure of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 in Complex with Z198194394 (DNV2_NS5A-X0612) (pdb code 7hks). 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 Group Deposition For Crystallographic Fragment Screening of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 -- Crystal Structure of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 in Complex with Z198194394 (DNV2_NS5A-X0612), PDB code: 7hks:

Fluorine binding site 1 out of 1 in the Group Deposition For Crystallographic Fragment Screening of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 -- Crystal Structure of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 in Complex with Z198194394 (DNV2_NS5A-X0612)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Group Deposition For Crystallographic Fragment Screening of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 -- Crystal Structure of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 in Complex with Z198194394 (DNV2_NS5A-X0612) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1011 b:35.2 occ:0.52 F A:O1M1011 0.0 35.2 0.5 C8 A:O1M1011 1.4 32.1 0.5 C7 A:O1M1011 2.3 30.6 0.5 C9 A:O1M1011 2.4 31.9 0.5 NH1 A:ARG729 2.9 33.3 0.5 CE1 A:HIS711 3.5 25.6 0.5 O A:HOH1405 3.6 34.7 0.5 C6 A:O1M1011 3.6 31.1 0.5 C10 A:O1M1011 3.6 30.2 0.5 O A:HOH1417 3.7 36.4 0.5 C5 A:O1M1011 4.1 31.0 0.5 ND1 A:HIS711 4.2 24.2 0.5 CZ A:ARG729 4.2 33.3 0.5 CB A:SER710 4.3 29.3 0.5 O A:CYS709 4.3 27.2 1.0 NE2 A:HIS711 4.6 24.7 0.5 O A:HOH1512 4.9 56.8 0.5 NH1 A:ARG737 4.9 56.9 0.5 OG A:SER710 5.0 29.9 0.5 NH2 A:ARG729 5.0 33.9 0.5

M.Saini, A.Chopra, J.C.Aschenbrenner, P.G.Marples, B.H.Balcomb, D.Fearon, F.Von Delft, F.X.Ruiz, E.Arnold. Group Deposition For Crystallographic Fragment Screening of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 To Be Published.