Zinc in PDB 7i2v: 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 Z415636694 (DNV2_NS5A-X0843)

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 Z415636694 (DNV2_NS5A-X0843), PDB code: 7i2v 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)	73.41 / 1.76
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.312, 115.777, 146.816, 90, 90, 90
R / Rfree (%)	21.4 / 25.6

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 Z415636694 (DNV2_NS5A-X0843) 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 Z415636694 (DNV2_NS5A-X0843) (pdb code 7i2v). 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 Z415636694 (DNV2_NS5A-X0843), PDB code: 7i2v:
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 Z415636694 (DNV2_NS5A-X0843)


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 Z415636694 (DNV2_NS5A-X0843) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:28.8 occ:1.00 NE2 A:HIS712 1.9 28.3 0.4 NE2 A:HIS714 2.0 16.2 1.0 SG A:CYS847 2.4 32.5 1.0 SG A:CYS728 2.4 28.7 0.4 CD2 A:HIS712 2.9 26.9 0.4 CE1 A:HIS714 2.9 31.4 1.0 CE1 A:HIS712 3.0 27.4 0.4 CD2 A:HIS714 3.1 33.5 1.0 CB A:CYS728 3.1 28.5 0.4 CB A:CYS847 3.6 31.4 1.0 CG A:HIS712 4.0 26.5 0.4 ND1 A:HIS712 4.0 27.6 0.4 ND1 A:HIS714 4.1 28.1 1.0 CG A:HIS714 4.2 27.6 1.0 CA A:CYS728 4.4 28.9 0.4 CD1 A:LEU839 4.4 29.6 0.4 O A:HOH1320 4.6 26.2 1.0 C A:CYS728 4.6 30.5 0.4 N A:ARG729 4.8 32.1 0.4 CA A:CYS847 4.8 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 Z415636694 (DNV2_NS5A-X0843)


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 Z415636694 (DNV2_NS5A-X0843) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:61.0 occ:1.00 NE2 A:HIS442 2.0 61.4 1.0 OE1 A:GLU438 2.2 77.4 1.0 SG A:CYS447 2.3 59.0 1.0 SG A:CYS450 2.3 63.3 1.0 CE1 A:HIS442 2.9 71.2 1.0 CD A:GLU438 3.0 69.9 1.0 CD2 A:HIS442 3.0 64.4 1.0 CB A:CYS450 3.1 58.1 1.0 OE2 A:GLU438 3.3 66.9 1.0 CB A:CYS447 3.3 62.0 1.0 CA A:CYS447 3.8 63.0 1.0 N A:CYS450 3.9 65.1 1.0 ND1 A:HIS442 4.0 62.1 1.0 N A:GLU448 4.1 61.5 1.0 CA A:CYS450 4.1 61.8 1.0 CG A:HIS442 4.1 70.6 1.0 CG A:GLU438 4.4 72.1 1.0 C A:CYS447 4.4 58.6 1.0 N A:THR449 4.6 67.3 0.5 CG2 A:THR572 4.6 54.7 0.4 C A:THR449 4.9 65.8 0.5 CB A:GLU438 5.0 67.3 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.