Zinc 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:

Fluorine

(F)

1 atom

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where 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:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 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 Zinc with other atoms in the Zn 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:Zn1001 b:24.1 occ:1.00 NE2 A:HIS714 2.0 19.3 1.0 NE2 A:HIS712 2.1 21.8 1.0 SG A:CYS847 2.4 24.3 1.0 SG A:CYS728 2.4 24.2 1.0 CD2 A:HIS714 3.0 24.0 1.0 CE1 A:HIS714 3.0 25.8 1.0 CD2 A:HIS712 3.1 23.1 1.0 CB A:CYS728 3.1 23.5 1.0 CE1 A:HIS712 3.1 21.6 1.0 CB A:CYS847 3.3 23.8 1.0 ND1 A:HIS714 4.1 23.8 1.0 CG A:HIS714 4.2 24.4 1.0 CG A:HIS712 4.2 22.9 1.0 ND1 A:HIS712 4.2 23.8 1.0 CD1 A:LEU839 4.4 27.4 1.0 CA A:CYS728 4.4 22.6 1.0 O A:HOH1414 4.6 25.7 1.0 C A:CYS728 4.6 25.8 1.0 CA A:CYS847 4.7 19.9 1.0 N A:ARG729 4.8 24.9 0.5 NH2 A:ARG769 4.9 22.4 1.0

Zinc binding site 2 out of 2 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 Zinc with other atoms in the Zn binding site number 2 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:Zn1002 b:53.8 occ:1.00 NE2 A:HIS442 2.0 47.8 1.0 SG A:CYS447 2.2 54.6 1.0 OE1 A:GLU438 2.2 85.1 1.0 SG A:CYS450 2.3 51.9 1.0 CE1 A:HIS442 3.0 53.8 1.0 CD A:GLU438 3.1 74.8 1.0 CD2 A:HIS442 3.1 49.8 1.0 CB A:CYS450 3.2 49.7 1.0 CB A:CYS447 3.4 56.5 1.0 OE2 A:GLU438 3.4 73.6 1.0 CA A:CYS447 3.8 53.2 1.0 N A:CYS450 3.8 54.0 1.0 ND1 A:HIS442 4.1 52.7 1.0 CA A:CYS450 4.1 49.5 1.0 CG A:HIS442 4.2 51.6 1.0 N A:GLU448 4.2 55.9 1.0 CG A:GLU438 4.4 74.0 1.0 C A:CYS447 4.5 53.7 1.0 N A:THR449 4.5 62.5 1.0 CG2 A:THR572 4.6 63.2 1.0 C A:THR449 4.8 57.5 1.0 CB A:GLU438 4.9 64.8 1.0 O A:LYS446 4.9 47.1 1.0 OG1 A:THR449 4.9 70.1 1.0

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.