Chlorine in PDB 7i29: 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 Z48847594 (DNV2_NS5A-X0162)

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 Z48847594 (DNV2_NS5A-X0162), PDB code: 7i29 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)	74.46 / 1.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.275, 117.416, 148.916, 90, 90, 90
R / Rfree (%)	25.5 / 29.1

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 Z48847594 (DNV2_NS5A-X0162) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine 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 Z48847594 (DNV2_NS5A-X0162) (pdb code 7i29). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine 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 Z48847594 (DNV2_NS5A-X0162), PDB code: 7i29:

Chlorine 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 Z48847594 (DNV2_NS5A-X0162)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 Z48847594 (DNV2_NS5A-X0162) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1011 b:38.5 occ:1.00 N A:ASN701 3.3 31.8 1.0 O A:HOH1321 3.6 51.5 1.0 O A:HOH1340 3.6 52.5 0.5 CE3 A:TRP700 3.8 27.2 1.0 N A:ASP702 3.9 35.2 1.0 CG A:GLN705 3.9 36.3 1.0 CB A:GLN705 3.9 30.5 1.0 CA A:TRP700 4.0 27.9 1.0 C A:TRP700 4.1 31.5 1.0 CA A:ASN701 4.1 34.5 1.0 CB A:ASN701 4.2 42.5 1.0 CB A:TRP700 4.3 26.7 1.0 C A:ASN701 4.4 34.0 1.0 OD1 A:ASN701 4.5 60.9 1.0 CZ3 A:TRP700 4.6 31.3 1.0 CB A:ASP702 4.6 41.8 1.0 O A:ASP702 4.7 32.1 1.0 CD2 A:TRP700 4.7 26.4 1.0 CG A:ASN701 4.7 55.0 1.0 CA A:ASP702 4.8 36.4 1.0 CG A:TRP700 5.0 26.6 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.