Zinc in PDB 7hl9: 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 Z53833304 (DNV2_NS5A-X1217)

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 Z53833304 (DNV2_NS5A-X1217), PDB code: 7hl9 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)	74.41 / 1.65
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.354, 116.618, 148.595, 90, 90, 90
R / Rfree (%)	19.9 / 23.1

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 Z53833304 (DNV2_NS5A-X1217) (pdb code 7hl9). 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 Z53833304 (DNV2_NS5A-X1217), PDB code: 7hl9:
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 Z53833304 (DNV2_NS5A-X1217)


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 Z53833304 (DNV2_NS5A-X1217) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:24.4 occ:1.00 NE2 A:HIS714 2.0 18.6 1.0 NE2 A:HIS712 2.1 21.9 1.0 SG A:CYS847 2.3 25.7 1.0 SG A:CYS728 2.4 24.9 1.0 CD2 A:HIS712 3.0 23.0 1.0 CE1 A:HIS714 3.0 27.5 1.0 CD2 A:HIS714 3.0 26.4 1.0 CB A:CYS728 3.1 22.8 1.0 CE1 A:HIS712 3.1 23.1 1.0 CB A:CYS847 3.3 23.6 1.0 ND1 A:HIS714 4.2 25.2 1.0 CG A:HIS712 4.2 22.2 1.0 CG A:HIS714 4.2 25.0 1.0 ND1 A:HIS712 4.2 22.4 1.0 CA A:CYS728 4.4 22.9 1.0 CD1 A:LEU839 4.5 26.0 1.0 O A:HOH1403 4.6 24.8 1.0 C A:CYS728 4.6 24.9 1.0 CA A:CYS847 4.7 22.7 1.0 N A:ARG729 4.8 25.0 1.0 NH2 A:ARG769 4.9 24.9 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 Z53833304 (DNV2_NS5A-X1217)


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 Z53833304 (DNV2_NS5A-X1217) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:57.2 occ:1.00 NE2 A:HIS442 2.1 51.5 1.0 SG A:CYS450 2.2 53.6 1.0 OE1 A:GLU438 2.2 88.4 1.0 SG A:CYS447 2.3 54.7 1.0 CE1 A:HIS442 2.9 57.3 1.0 CB A:CYS450 3.1 54.3 1.0 CD2 A:HIS442 3.1 54.2 1.0 CD A:GLU438 3.2 74.7 1.0 CB A:CYS447 3.4 59.5 1.0 OE2 A:GLU438 3.5 79.8 1.0 CA A:CYS447 3.8 60.1 1.0 N A:CYS450 3.8 53.4 1.0 CA A:CYS450 4.1 52.5 1.0 ND1 A:HIS442 4.1 55.0 1.0 CG A:HIS442 4.2 59.3 1.0 N A:GLU448 4.2 61.5 1.0 CG A:GLU438 4.5 79.3 1.0 C A:CYS447 4.5 56.9 1.0 N A:THR449 4.5 61.0 1.0 CG2 A:THR572 4.7 60.0 1.0 C A:THR449 4.8 56.8 1.0 CB A:GLU438 4.9 72.0 1.0 O A:LYS446 5.0 56.2 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.