Zinc in PDB 7i2o: 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 Z1787627869 (DNV2_NS5A-X0587)

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 Z1787627869 (DNV2_NS5A-X0587), PDB code: 7i2o 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)	73.47 / 1.86
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.449, 116.263, 146.908, 90, 90, 90
R / Rfree (%)	19.7 / 24.4

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 Z1787627869 (DNV2_NS5A-X0587) 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 Z1787627869 (DNV2_NS5A-X0587) (pdb code 7i2o). 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 Z1787627869 (DNV2_NS5A-X0587), PDB code: 7i2o:
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 Z1787627869 (DNV2_NS5A-X0587)


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 Z1787627869 (DNV2_NS5A-X0587) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:29.9 occ:1.00 NE2 A:HIS714 2.0 23.6 1.0 NE2 A:HIS712 2.1 26.7 1.0 SG A:CYS847 2.4 32.6 1.0 SG A:CYS728 2.4 28.3 1.0 CE1 A:HIS714 3.0 33.5 1.0 CD2 A:HIS714 3.1 34.7 1.0 CE1 A:HIS712 3.1 25.5 1.0 CD2 A:HIS712 3.1 25.6 1.0 CB A:CYS728 3.1 26.3 1.0 CB A:CYS847 3.3 29.2 1.0 ND1 A:HIS714 4.1 30.1 1.0 ND1 A:HIS712 4.2 26.4 1.0 CG A:HIS714 4.2 31.4 1.0 CG A:HIS712 4.2 25.4 1.0 CA A:CYS728 4.4 26.8 1.0 CD1 A:LEU839 4.5 32.6 0.4 C A:CYS728 4.6 29.2 1.0 O A:HOH1339 4.6 29.3 1.0 CA A:CYS847 4.7 27.7 1.0 N A:ARG729 4.8 30.1 1.0 NH2 A:ARG769 4.8 29.9 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 Z1787627869 (DNV2_NS5A-X0587)


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 Z1787627869 (DNV2_NS5A-X0587) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:60.1 occ:1.00 OE1 A:GLU438 2.1 76.6 0.5 NE2 A:HIS442 2.1 66.4 1.0 SG A:CYS450 2.2 64.8 1.0 SG A:CYS447 2.3 62.4 1.0 CE1 A:HIS442 3.0 73.2 1.0 CD A:GLU438 3.0 76.2 0.5 CB A:CYS450 3.1 57.0 1.0 CD2 A:HIS442 3.1 68.7 1.0 OE2 A:GLU438 3.3 75.6 0.5 CB A:CYS447 3.4 65.1 1.0 CA A:CYS447 3.7 59.5 1.0 N A:CYS450 3.9 60.2 1.0 ND1 A:HIS442 4.1 69.2 1.0 N A:GLU448 4.1 58.0 1.0 CA A:CYS450 4.1 58.8 1.0 CG A:HIS442 4.2 72.7 1.0 CG A:GLU438 4.4 76.8 0.5 C A:CYS447 4.4 55.9 1.0 N A:THR449 4.5 67.6 1.0 CG2 A:THR572 4.6 57.2 0.5 C A:THR449 4.9 67.0 1.0 CB A:GLU438 5.0 74.0 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.