Zinc in PDB 7i2t: 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 Z32327641 (DNV2_NS5A-X0781)

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 Z32327641 (DNV2_NS5A-X0781), PDB code: 7i2t 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)	58.11 / 1.59
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.338, 116.214, 148.02, 90, 90, 90
R / Rfree (%)	20.1 / 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 Z32327641 (DNV2_NS5A-X0781) also contains other interesting chemical elements:

Chlorine

(Cl)

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 Z32327641 (DNV2_NS5A-X0781) (pdb code 7i2t). 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 Z32327641 (DNV2_NS5A-X0781), PDB code: 7i2t:
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 Z32327641 (DNV2_NS5A-X0781)


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 Z32327641 (DNV2_NS5A-X0781) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:20.2 occ:1.00 NE2 A:HIS714 2.0 14.9 1.0 NE2 A:HIS712 2.2 19.2 1.0 SG A:CYS847 2.3 21.4 1.0 SG A:CYS728 2.3 19.1 1.0 CE1 A:HIS714 3.0 20.6 1.0 CD2 A:HIS714 3.0 20.8 1.0 CD2 A:HIS712 3.1 18.5 1.0 CB A:CYS728 3.1 19.4 1.0 CE1 A:HIS712 3.1 19.3 1.0 CB A:CYS847 3.4 21.8 1.0 ND1 A:HIS714 4.2 21.0 1.0 CG A:HIS714 4.2 20.9 1.0 CG A:HIS712 4.2 18.6 1.0 ND1 A:HIS712 4.2 20.1 1.0 CA A:CYS728 4.4 18.3 1.0 CD1 A:LEU839 4.5 22.8 1.0 O A:HOH1395 4.6 20.2 1.0 C A:CYS728 4.7 21.4 1.0 CA A:CYS847 4.7 19.8 1.0 N A:ARG729 4.8 21.2 1.0 NH2 A:ARG769 4.9 20.3 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 Z32327641 (DNV2_NS5A-X0781)


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 Z32327641 (DNV2_NS5A-X0781) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:49.8 occ:1.00 OE1 A:GLU438 2.0 74.4 0.5 NE2 A:HIS442 2.1 47.8 1.0 SG A:CYS447 2.2 48.1 1.0 SG A:CYS450 2.2 50.1 1.0 CE1 A:HIS442 2.9 56.5 1.0 CB A:CYS450 3.0 47.4 1.0 CD A:GLU438 3.1 68.2 0.5 CD2 A:HIS442 3.2 49.7 1.0 CB A:CYS447 3.4 49.6 1.0 OE2 A:GLU438 3.7 71.6 0.5 N A:CYS450 3.8 53.6 1.0 CA A:CYS447 3.8 51.1 1.0 CA A:CYS450 4.0 49.1 1.0 ND1 A:HIS442 4.0 51.5 1.0 N A:GLU448 4.1 51.2 1.0 CG A:HIS442 4.2 55.6 1.0 CG A:GLU438 4.3 67.5 0.5 C A:CYS447 4.4 50.9 1.0 N A:THR449 4.5 55.8 0.5 CG2 A:THR572 4.7 52.3 1.0 C A:THR449 4.8 54.0 0.5 CB A:GLU438 4.9 64.2 0.5 OG1 A:THR449 4.9 61.6 0.5

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.