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Chlorine in PDB 7i2u: 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 Z32665176 (DNV2_NS5A-X0787)

Protein crystallography data

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 Z32665176 (DNV2_NS5A-X0787), PDB code: 7i2u 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) 49.50 / 1.96
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 82.625, 115.814, 145.894, 90, 90, 90
R / Rfree (%) 19.4 / 24

Other elements in 7i2u:

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 Z32665176 (DNV2_NS5A-X0787) also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

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 Z32665176 (DNV2_NS5A-X0787) (pdb code 7i2u). 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 Z32665176 (DNV2_NS5A-X0787), PDB code: 7i2u:

Chlorine binding site 1 out of 1 in 7i2u

Go back to Chlorine Binding Sites List in 7i2u
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 Z32665176 (DNV2_NS5A-X0787)


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 Z32665176 (DNV2_NS5A-X0787) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1009

b:51.2
occ:0.50
N A:ASN701 3.1 38.6 1.0
N A:ASP702 3.6 43.5 1.0
CA A:ASN701 3.9 45.6 1.0
CA A:TRP700 4.0 37.8 1.0
C A:TRP700 4.0 37.6 1.0
CG A:GLN705 4.0 42.8 0.5
CB A:ASN701 4.0 49.0 1.0
CE3 A:TRP700 4.1 37.6 1.0
CB A:GLN705 4.1 41.7 0.5
CB A:ASP702 4.2 51.1 1.0
C A:ASN701 4.2 44.9 1.0
O A:HOH1106 4.2 42.5 1.0
CB A:TRP700 4.2 38.0 1.0
CA A:ASP702 4.5 48.3 1.0
O A:ASP702 4.6 40.4 1.0
CG A:ASN701 4.8 52.9 1.0
CD2 A:TRP700 4.9 35.4 1.0
OD1 A:ASN701 4.9 74.4 1.0
CZ3 A:TRP700 4.9 37.8 1.0

Reference:

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.
Page generated: Sun Jul 13 02:55:46 2025

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