Chlorine in PDB 7i2x: Group Deposition For Crystallographic Fragment Screening of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 -- Pandda Analysis Group Deposition of Ground-State Model

The structure of Group Deposition For Crystallographic Fragment Screening of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 -- Pandda Analysis Group Deposition of Ground-State Model, PDB code: 7i2x 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)	74.39 / 1.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.485, 116.856, 148.568, 90, 90, 90
R / Rfree (%)	19.3 / 22

The structure of Group Deposition For Crystallographic Fragment Screening of the NS5 Rna-Dependent Rna Polymerase From Dengue Virus Serotype 2 -- Pandda Analysis Group Deposition of Ground-State Model 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 -- Pandda Analysis Group Deposition of Ground-State Model (pdb code 7i2x). 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 -- Pandda Analysis Group Deposition of Ground-State Model, PDB code: 7i2x:

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 -- Pandda Analysis Group Deposition of Ground-State Model


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 -- Pandda Analysis Group Deposition of Ground-State Model within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:36.8 occ:1.00 O A:HOH1341 3.2 47.6 1.0 N A:ASN701 3.3 27.8 1.0 CE3 A:TRP700 3.8 26.5 1.0 N A:ASP702 3.9 31.4 1.0 CG A:GLN705 4.0 32.1 1.0 CB A:GLN705 4.0 29.2 1.0 CA A:TRP700 4.1 27.4 1.0 O A:HOH1103 4.1 28.4 1.0 CA A:ASN701 4.1 30.7 1.0 C A:TRP700 4.2 28.7 1.0 CB A:ASN701 4.2 34.7 1.0 CB A:TRP700 4.4 25.1 1.0 C A:ASN701 4.4 31.9 1.0 CB A:ASP702 4.4 36.6 1.0 OD1 A:ASN701 4.5 52.4 1.0 CZ3 A:TRP700 4.6 29.7 1.0 CG A:ASN701 4.7 45.7 1.0 O A:ASP702 4.7 27.6 1.0 CD2 A:TRP700 4.7 24.2 1.0 CA A:ASP702 4.7 32.8 1.0 CG A:TRP700 5.0 25.1 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. Pandda Analysis Group Deposition of Ground-State Model To Be Published.