Zinc in PDB 7hkn: 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 Z952016136 (DNV2_NS5A-X0323)

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 Z952016136 (DNV2_NS5A-X0323), PDB code: 7hkn was solved by M.Saini, A.Chopra, J.C.Aschenbrenner, P.G.Marples, B.H.Balcomb, 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)	46.13 / 2.43
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.525, 117.36, 148.89, 90, 90, 90
R / Rfree (%)	19.9 / 28.1

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 Z952016136 (DNV2_NS5A-X0323) 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 Z952016136 (DNV2_NS5A-X0323) (pdb code 7hkn). 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 Z952016136 (DNV2_NS5A-X0323), PDB code: 7hkn:
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 Z952016136 (DNV2_NS5A-X0323)


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 Z952016136 (DNV2_NS5A-X0323) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:35.5 occ:1.00 NE2 A:HIS714 2.0 35.2 1.0 NE2 A:HIS712 2.0 39.4 1.0 SG A:CYS847 2.3 36.0 1.0 SG A:CYS728 2.3 35.6 1.0 CE1 A:HIS714 3.0 36.7 1.0 CD2 A:HIS712 3.0 38.3 1.0 CD2 A:HIS714 3.0 36.6 1.0 CE1 A:HIS712 3.1 41.2 1.0 CB A:CYS728 3.2 31.1 1.0 CB A:CYS847 3.3 36.1 1.0 ND1 A:HIS714 4.1 37.0 1.0 CG A:HIS714 4.1 41.3 1.0 ND1 A:HIS712 4.1 37.4 1.0 CG A:HIS712 4.1 35.3 1.0 CA A:CYS728 4.5 30.7 1.0 CD1 A:LEU839 4.5 33.8 1.0 C A:CYS728 4.6 31.9 1.0 O A:HOH1416 4.7 45.5 1.0 CA A:CYS847 4.7 38.4 1.0 N A:ARG729 4.8 33.1 1.0 NH2 A:ARG769 4.9 41.6 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 Z952016136 (DNV2_NS5A-X0323)


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 Z952016136 (DNV2_NS5A-X0323) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:83.1 occ:1.00 NE2 A:HIS442 2.0 83.7 1.0 SG A:CYS450 2.1 88.9 1.0 SG A:CYS447 2.3 71.5 1.0 OE1 A:GLU438 2.5 89.8 1.0 CE1 A:HIS442 2.9 88.0 1.0 CB A:CYS450 3.0 81.5 1.0 CD2 A:HIS442 3.1 84.9 1.0 CD A:GLU438 3.3 85.0 1.0 OE2 A:GLU438 3.5 87.6 1.0 CB A:CYS447 3.6 87.0 1.0 CA A:CYS447 3.9 85.9 1.0 ND1 A:HIS442 4.0 83.1 1.0 N A:GLU448 4.1 86.9 1.0 CG A:HIS442 4.1 90.5 1.0 N A:CYS450 4.2 82.1 1.0 CA A:CYS450 4.2 79.7 1.0 CG A:GLU438 4.5 83.1 1.0 C A:CYS447 4.5 84.1 1.0 CG2 A:THR572 4.7 88.1 1.0 N A:THR449 4.8 96.8 1.0 CB A:GLU438 5.0 80.0 1.0

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