Fluorine in PDB 7hkv: 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 Z300245038 (DNV2_NS5A-X0749)

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 Z300245038 (DNV2_NS5A-X0749), PDB code: 7hkv 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)	58.07 / 1.86
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.387, 116.009, 147.848, 90, 90, 90
R / Rfree (%)	20.2 / 25.1

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 Z300245038 (DNV2_NS5A-X0749) 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 Z300245038 (DNV2_NS5A-X0749) (pdb code 7hkv). 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 Z300245038 (DNV2_NS5A-X0749), PDB code: 7hkv:

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 Z300245038 (DNV2_NS5A-X0749)


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 Z300245038 (DNV2_NS5A-X0749) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1012 b:43.8 occ:0.60 F A:O0P1012 0.0 43.8 0.6 C6 A:O0P1012 1.4 43.1 0.6 C5 A:O0P1012 2.3 44.0 0.6 C7 A:O0P1012 2.3 42.0 0.6 NE A:ARG770 3.2 28.2 1.0 CD A:ARG770 3.3 29.3 1.0 O A:HOH1474 3.4 50.6 0.6 C4 A:O0P1012 3.6 47.4 0.6 C2 A:O0P1012 3.6 44.7 0.6 CG A:LYS841 4.1 30.3 0.6 C3 A:O0P1012 4.1 46.2 0.6 CD A:LYS841 4.3 30.8 0.6 CZ A:ARG770 4.4 31.4 1.0 CD1 A:ILE851 4.4 29.0 0.6 CG2 A:ILE851 4.5 28.0 0.6 O A:HOH1459 4.5 30.3 0.6 CG A:ARG770 4.5 30.5 1.0 NH2 A:ARG770 4.8 30.3 1.0 C1 A:O0P1012 4.9 47.2 0.6 CB A:ILE851 4.9 29.2 0.6

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.