Zinc in PDB 7hkl: 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 Z818928496 (DNV2_NS5A-X0283)

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 Z818928496 (DNV2_NS5A-X0283), PDB code: 7hkl 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)	74.49 / 1.88
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.356, 116.766, 148.756, 90, 90, 90
R / Rfree (%)	19.1 / 23.9

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 Z818928496 (DNV2_NS5A-X0283) (pdb code 7hkl). 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 Z818928496 (DNV2_NS5A-X0283), PDB code: 7hkl:
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 Z818928496 (DNV2_NS5A-X0283)


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 Z818928496 (DNV2_NS5A-X0283) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:24.6 occ:1.00 NE2 A:HIS714 2.0 21.0 1.0 NE2 A:HIS712 2.0 24.2 1.0 SG A:CYS847 2.3 23.6 1.0 SG A:CYS728 2.3 23.3 1.0 CD2 A:HIS714 3.0 28.4 1.0 CE1 A:HIS714 3.0 29.0 1.0 CE1 A:HIS712 3.0 22.8 1.0 CD2 A:HIS712 3.0 23.0 1.0 CB A:CYS728 3.1 23.0 1.0 CB A:CYS847 3.3 23.9 1.0 ND1 A:HIS712 4.1 21.6 1.0 ND1 A:HIS714 4.1 27.4 1.0 CG A:HIS714 4.2 27.1 1.0 CG A:HIS712 4.2 23.5 1.0 CA A:CYS728 4.4 22.7 1.0 CD1 A:LEU839 4.5 27.7 0.7 O A:HOH1415 4.7 24.5 1.0 C A:CYS728 4.7 25.7 1.0 CA A:CYS847 4.7 23.0 1.0 N A:ARG729 4.8 27.0 1.0 NH2 A:ARG769 5.0 23.4 0.7

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 Z818928496 (DNV2_NS5A-X0283)


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 Z818928496 (DNV2_NS5A-X0283) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:57.8 occ:1.00 NE2 A:HIS442 2.0 52.5 1.0 SG A:CYS450 2.2 54.8 1.0 SG A:CYS447 2.3 59.8 1.0 OE1 A:GLU438 2.7 87.2 1.0 CE1 A:HIS442 2.9 60.8 1.0 CB A:CYS450 3.0 56.5 1.0 CD2 A:HIS442 3.1 54.1 1.0 CD A:GLU438 3.3 71.4 1.0 OE2 A:GLU438 3.4 74.7 1.0 CB A:CYS447 3.4 66.3 1.0 CA A:CYS447 3.8 62.9 1.0 N A:CYS450 3.9 55.6 1.0 ND1 A:HIS442 4.0 59.2 1.0 CA A:CYS450 4.1 51.7 1.0 CG A:HIS442 4.1 65.9 1.0 N A:GLU448 4.2 59.3 1.0 C A:CYS447 4.4 57.7 1.0 CG A:GLU438 4.5 76.5 1.0 N A:THR449 4.6 62.7 1.0 CG2 A:THR572 4.7 67.6 1.0 CB A:GLU438 4.9 70.1 1.0 C A:THR449 4.9 59.6 1.0 O A:LYS446 5.0 51.6 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.