Zinc in PDB 7i2d: 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 Z729352906 (DNV2_NS5A-X0258)

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 Z729352906 (DNV2_NS5A-X0258), PDB code: 7i2d was solved by J.C.Aschenbrenner, M.Saini, A.Chopra, P.G.Marples, B.H.Balcomb, R.M.Lithgo, 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)	49.91 / 1.70
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.471, 116.817, 148.61, 90, 90, 90
R / Rfree (%)	19.7 / 22.8

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 Z729352906 (DNV2_NS5A-X0258) 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 Z729352906 (DNV2_NS5A-X0258) (pdb code 7i2d). 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 Z729352906 (DNV2_NS5A-X0258), PDB code: 7i2d:
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 Z729352906 (DNV2_NS5A-X0258)


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 Z729352906 (DNV2_NS5A-X0258) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:21.8 occ:1.00 NE2 A:HIS714 2.0 16.9 1.0 NE2 A:HIS712 2.1 21.2 1.0 SG A:CYS847 2.3 21.6 0.5 SG A:CYS728 2.3 21.6 1.0 CD2 A:HIS712 3.0 21.2 1.0 CE1 A:HIS714 3.0 23.6 1.0 CD2 A:HIS714 3.0 24.0 1.0 CB A:CYS728 3.1 19.1 1.0 CE1 A:HIS712 3.1 22.4 1.0 CB A:CYS847 3.4 20.6 0.5 ND1 A:HIS714 4.1 24.6 1.0 CG A:HIS712 4.2 21.2 1.0 CG A:HIS714 4.2 22.5 1.0 ND1 A:HIS712 4.2 21.5 1.0 CD1 A:LEU839 4.4 23.0 1.0 CA A:CYS728 4.4 19.7 1.0 O A:HOH1364 4.6 22.2 1.0 C A:CYS728 4.6 21.7 1.0 CA A:CYS847 4.7 20.1 0.5 N A:ARG729 4.8 22.0 1.0 NH2 A:ARG769 4.9 21.7 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 Z729352906 (DNV2_NS5A-X0258)


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 Z729352906 (DNV2_NS5A-X0258) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:53.2 occ:1.00 NE2 A:HIS442 2.1 53.8 1.0 OE1 A:GLU438 2.1 69.1 1.0 SG A:CYS450 2.1 50.0 1.0 SG A:CYS447 2.3 49.6 1.0 CE1 A:HIS442 2.9 60.4 1.0 CB A:CYS450 3.0 49.6 1.0 CD A:GLU438 3.1 59.0 1.0 CD2 A:HIS442 3.2 55.6 1.0 CB A:CYS447 3.4 56.4 1.0 OE2 A:GLU438 3.4 67.3 1.0 N A:CYS450 3.8 50.9 1.0 CA A:CYS447 3.8 52.6 1.0 CA A:CYS450 4.0 48.7 1.0 ND1 A:HIS442 4.1 60.1 1.0 N A:GLU448 4.2 56.2 1.0 CG A:HIS442 4.2 59.4 1.0 CG A:GLU438 4.4 69.9 1.0 C A:CYS447 4.5 54.1 1.0 N A:THR449 4.5 59.4 1.0 CG2 A:THR572 4.6 61.1 1.0 C A:THR449 4.8 54.4 1.0 OG1 A:THR449 4.9 68.5 1.0 CB A:GLU438 5.0 64.5 1.0 O A:LYS446 5.0 49.4 1.0

J.C.Aschenbrenner, M.Saini, A.Chopra, P.G.Marples, B.H.Balcomb, R.M.Lithgo, 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.