Zinc in PDB 7hku: 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 Z291279160 (DNV2_NS5A-X0741)

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 Z291279160 (DNV2_NS5A-X0741), PDB code: 7hku 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)	73.74 / 1.74
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.384, 115.686, 147.254, 90, 90, 90
R / Rfree (%)	20 / 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 Z291279160 (DNV2_NS5A-X0741) also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Fluorine	(F)	3 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 Z291279160 (DNV2_NS5A-X0741) (pdb code 7hku). 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 Z291279160 (DNV2_NS5A-X0741), PDB code: 7hku:
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 Z291279160 (DNV2_NS5A-X0741)


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 Z291279160 (DNV2_NS5A-X0741) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:28.9 occ:1.00 NE2 A:HIS714 2.0 20.8 1.0 NE2 A:HIS712 2.1 25.6 1.0 SG A:CYS728 2.3 29.6 1.0 SG A:CYS847 2.4 30.5 1.0 CD2 A:HIS714 3.0 31.8 1.0 CE1 A:HIS714 3.0 31.5 1.0 CD2 A:HIS712 3.1 23.4 1.0 CB A:CYS728 3.1 30.1 1.0 CE1 A:HIS712 3.1 22.9 1.0 CB A:CYS847 3.4 29.4 1.0 ND1 A:HIS714 4.1 30.9 1.0 CG A:HIS714 4.2 29.4 1.0 ND1 A:HIS712 4.2 23.9 1.0 CG A:HIS712 4.2 25.9 1.0 CA A:CYS728 4.4 27.6 1.0 CD1 A:LEU839 4.5 33.4 1.0 C A:CYS728 4.6 29.1 1.0 O A:HOH1419 4.6 26.0 1.0 CA A:CYS847 4.7 25.9 1.0 N A:ARG729 4.8 29.1 1.0 NH2 A:ARG769 4.9 29.0 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 Z291279160 (DNV2_NS5A-X0741)


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 Z291279160 (DNV2_NS5A-X0741) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:60.4 occ:1.00 NE2 A:HIS442 2.0 62.7 1.0 SG A:CYS447 2.3 58.9 1.0 SG A:CYS450 2.3 58.9 1.0 OE1 A:GLU438 2.6 91.8 1.0 CE1 A:HIS442 2.8 68.1 1.0 CD2 A:HIS442 3.0 61.6 1.0 CD A:GLU438 3.1 76.5 1.0 CB A:CYS450 3.2 55.5 1.0 OE2 A:GLU438 3.2 74.1 1.0 CB A:CYS447 3.4 64.3 1.0 CA A:CYS447 3.8 59.8 1.0 N A:CYS450 3.9 61.6 1.0 ND1 A:HIS442 4.0 61.4 1.0 CG A:HIS442 4.1 68.0 1.0 N A:GLU448 4.2 60.5 1.0 CA A:CYS450 4.2 55.9 1.0 CG A:GLU438 4.4 77.7 1.0 C A:CYS447 4.4 58.2 1.0 N A:THR449 4.5 66.7 1.0 CG2 A:THR572 4.7 69.9 1.0 CB A:GLU438 4.9 69.7 1.0 C A:THR449 5.0 62.9 1.0 O A:LYS446 5.0 51.0 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.