Zinc in PDB 7hl0: 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 Ncl-00023818 (DNV2_NS5A-X0963)

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 Ncl-00023818 (DNV2_NS5A-X0963), PDB code: 7hl0 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)	46.36 / 2.23
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.35, 117.78, 149.99, 90, 90, 90
R / Rfree (%)	19 / 25.3

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 Ncl-00023818 (DNV2_NS5A-X0963) also contains other interesting chemical elements:

Iodine

(I)

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 Ncl-00023818 (DNV2_NS5A-X0963) (pdb code 7hl0). 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 Ncl-00023818 (DNV2_NS5A-X0963), PDB code: 7hl0:
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 Ncl-00023818 (DNV2_NS5A-X0963)


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 Ncl-00023818 (DNV2_NS5A-X0963) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:33.1 occ:1.00 NE2 A:HIS714 2.0 28.9 1.0 NE2 A:HIS712 2.1 34.9 1.0 SG A:CYS847 2.3 33.1 1.0 SG A:CYS728 2.3 30.1 1.0 CE1 A:HIS714 2.9 35.7 1.0 CE1 A:HIS712 3.0 33.5 1.0 CD2 A:HIS714 3.1 34.0 1.0 CD2 A:HIS712 3.1 32.1 1.0 CB A:CYS728 3.1 30.3 1.0 CB A:CYS847 3.3 29.8 1.0 ND1 A:HIS714 4.1 37.2 1.0 ND1 A:HIS712 4.1 30.6 1.0 CG A:HIS714 4.2 33.4 1.0 CG A:HIS712 4.2 29.7 1.0 CA A:CYS728 4.4 31.9 1.0 O A:HOH1434 4.7 35.0 1.0 CD1 A:LEU839 4.7 33.8 1.0 C A:CYS728 4.7 31.8 1.0 CA A:CYS847 4.7 31.5 1.0 N A:ARG729 4.9 31.2 1.0 NH2 A:ARG769 5.0 28.7 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 Ncl-00023818 (DNV2_NS5A-X0963)


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 Ncl-00023818 (DNV2_NS5A-X0963) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:69.7 occ:1.00 NE2 A:HIS442 2.0 71.2 1.0 OE1 A:GLU438 2.2 77.3 1.0 SG A:CYS450 2.2 67.4 1.0 SG A:CYS447 2.2 69.4 1.0 CE1 A:HIS442 2.8 73.5 1.0 CD2 A:HIS442 3.1 72.8 1.0 CD A:GLU438 3.2 72.2 1.0 CB A:CYS450 3.2 65.8 1.0 CB A:CYS447 3.4 75.4 1.0 OE2 A:GLU438 3.5 80.6 1.0 CA A:CYS447 3.8 74.9 1.0 ND1 A:HIS442 4.0 72.6 1.0 N A:CYS450 4.0 67.1 1.0 CG A:HIS442 4.1 80.2 1.0 N A:GLU448 4.1 79.3 1.0 CA A:CYS450 4.2 63.7 1.0 C A:CYS447 4.4 77.8 1.0 CG A:GLU438 4.5 75.5 1.0 N A:THR449 4.6 77.7 1.0 CG2 A:THR572 4.7 73.8 1.0 C A:THR449 5.0 74.3 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.