Iodine in PDB 7hl0: 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 Ncl-00023818 (DNV2_NS5A-X0963)

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 Ncl-00023818 (DNV2_NS5A-X0963), PDB code: 7hl0 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)	46.36 / 2.23
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.35, 117.78, 149.99, 90, 90, 90
R / Rfree (%)	19 / 25.3

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 Ncl-00023818 (DNV2_NS5A-X0963) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iodine 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 Ncl-00023818 (DNV2_NS5A-X0963) (pdb code 7hl0). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was 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 Ncl-00023818 (DNV2_NS5A-X0963), PDB code: 7hl0:

Iodine binding site 1 out of 1 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 Ncl-00023818 (DNV2_NS5A-X0963)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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 Ncl-00023818 (DNV2_NS5A-X0963) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1010 b:184.4 occ:0.86 I4 A:PYZ1010 0.0 184.4 0.9 C4 A:PYZ1010 2.1 98.1 0.9 C5 A:PYZ1010 3.1 85.2 0.9 C3 A:PYZ1010 3.1 88.5 0.9 CE A:MET590 3.6 104.0 1.0 N1 A:PYZ1010 4.2 76.8 0.9 N2 A:PYZ1010 4.3 80.9 0.9 ND2 A:ASN453 4.3 70.5 1.0 CD A:ARG579 4.4 93.3 0.9 SD A:MET590 4.5 96.7 1.0 NH2 A:ARG579 4.8 94.1 0.9

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.