Zinc in PDB 7i2g: 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 Z1079512010 (DNV2_NS5A-X0379)

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 Z1079512010 (DNV2_NS5A-X0379), PDB code: 7i2g 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)	73.69 / 1.85
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.422, 116.041, 147.388, 90, 90, 90
R / Rfree (%)	20.7 / 24.7

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 Z1079512010 (DNV2_NS5A-X0379) also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

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 Z1079512010 (DNV2_NS5A-X0379) (pdb code 7i2g). 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 Z1079512010 (DNV2_NS5A-X0379), PDB code: 7i2g:
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 Z1079512010 (DNV2_NS5A-X0379)


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 Z1079512010 (DNV2_NS5A-X0379) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:28.3 occ:1.00 NE2 A:HIS714 2.0 20.5 1.0 NE2 A:HIS712 2.0 25.4 1.0 SG A:CYS847 2.3 30.4 1.0 SG A:CYS728 2.4 26.8 1.0 CE1 A:HIS714 3.0 30.9 1.0 CD2 A:HIS712 3.0 24.3 1.0 CE1 A:HIS712 3.0 24.2 1.0 CD2 A:HIS714 3.1 31.1 1.0 CB A:CYS728 3.2 26.2 1.0 CB A:CYS847 3.4 29.4 1.0 ND1 A:HIS712 4.1 25.3 1.0 ND1 A:HIS714 4.1 29.6 1.0 CG A:HIS712 4.1 24.2 1.0 CG A:HIS714 4.2 28.1 1.0 CA A:CYS728 4.5 27.1 1.0 CD1 A:LEU839 4.5 29.2 0.4 O A:HOH1260 4.5 28.0 1.0 C A:CYS728 4.7 30.3 1.0 CA A:CYS847 4.7 27.0 1.0 N A:ARG729 4.9 30.3 1.0 NH2 A:ARG769 4.9 27.1 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 Z1079512010 (DNV2_NS5A-X0379)


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 Z1079512010 (DNV2_NS5A-X0379) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:62.5 occ:1.00 OE1 A:GLU438 2.1 59.7 0.3 NE2 A:HIS442 2.2 64.1 0.3 SG A:CYS447 2.2 62.8 1.0 SG A:CYS450 2.2 63.8 1.0 CE1 A:HIS442 3.0 64.5 0.3 CB A:CYS450 3.0 54.4 1.0 CD A:GLU438 3.1 60.3 0.3 CD2 A:HIS442 3.3 64.0 0.3 OE2 A:GLU438 3.3 59.0 0.3 CB A:CYS447 3.4 62.9 1.0 CA A:CYS447 3.7 65.0 1.0 N A:CYS450 3.9 62.9 1.0 CA A:CYS450 4.1 56.9 1.0 N A:GLU448 4.1 63.9 1.0 ND1 A:HIS442 4.1 64.0 0.3 CG A:HIS442 4.3 64.7 0.3 C A:CYS447 4.4 62.0 1.0 CG A:GLU438 4.4 62.1 0.3 N A:THR449 4.5 64.9 1.0 CG2 A:THR572 4.7 64.7 1.0 C A:THR449 4.9 64.2 1.0 O A:LYS446 5.0 50.9 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.