Zinc in PDB 7hl3: 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 Z1741972704 (DNV2_NS5A-X1073)

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 Z1741972704 (DNV2_NS5A-X1073), PDB code: 7hl3 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)	42.37 / 1.65
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.514, 116.345, 147.971, 90, 90, 90
R / Rfree (%)	18.7 / 21.6

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 Z1741972704 (DNV2_NS5A-X1073) (pdb code 7hl3). 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 Z1741972704 (DNV2_NS5A-X1073), PDB code: 7hl3:
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 Z1741972704 (DNV2_NS5A-X1073)


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 Z1741972704 (DNV2_NS5A-X1073) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:22.4 occ:1.00 NE2 A:HIS714 2.0 20.1 1.0 NE2 A:HIS712 2.1 22.4 1.0 SG A:CYS728 2.3 21.2 1.0 SG A:CYS847 2.3 23.3 1.0 CD2 A:HIS714 3.0 24.0 1.0 CE1 A:HIS714 3.0 25.5 1.0 CD2 A:HIS712 3.0 21.0 1.0 CE1 A:HIS712 3.1 20.9 1.0 CB A:CYS728 3.1 21.3 1.0 CB A:CYS847 3.3 21.2 1.0 ND1 A:HIS714 4.1 25.6 1.0 ND1 A:HIS712 4.2 21.7 1.0 CG A:HIS714 4.2 23.5 1.0 CG A:HIS712 4.2 20.0 1.0 CA A:CYS728 4.4 20.4 1.0 CD1 A:LEU839 4.5 25.8 1.0 O A:HOH1406 4.6 22.2 1.0 C A:CYS728 4.6 23.0 1.0 CA A:CYS847 4.7 20.3 1.0 N A:ARG729 4.8 22.1 1.0 NH2 A:ARG769 4.9 23.1 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 Z1741972704 (DNV2_NS5A-X1073)


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 Z1741972704 (DNV2_NS5A-X1073) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:53.3 occ:1.00 OE1 A:GLU438 2.1 76.6 1.0 NE2 A:HIS442 2.1 54.7 1.0 SG A:CYS450 2.2 52.4 1.0 SG A:CYS447 2.3 51.4 1.0 CE1 A:HIS442 3.0 57.8 1.0 CB A:CYS450 3.1 50.8 1.0 CD A:GLU438 3.1 67.1 1.0 CD2 A:HIS442 3.2 57.3 1.0 CB A:CYS447 3.4 55.0 1.0 OE2 A:GLU438 3.5 73.0 1.0 CA A:CYS447 3.8 53.1 1.0 N A:CYS450 3.8 53.8 1.0 CA A:CYS450 4.0 49.8 1.0 ND1 A:HIS442 4.1 55.4 1.0 N A:GLU448 4.2 56.4 1.0 CG A:HIS442 4.3 59.7 1.0 CG A:GLU438 4.4 74.4 1.0 C A:CYS447 4.5 51.2 1.0 N A:THR449 4.5 57.3 1.0 CG2 A:THR572 4.6 57.4 1.0 C A:THR449 4.8 54.6 1.0 O A:LYS446 5.0 48.9 1.0 OG1 A:THR449 5.0 68.8 1.0 CB A:GLU438 5.0 66.9 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.