Chlorine in PDB 2qe5: Structure of Hcv NS5B Bound to An Anthranilic Acid Inhibitor

All present enzymatic activity of Structure of Hcv NS5B Bound to An Anthranilic Acid Inhibitor:
2.7.7.48;

The structure of Structure of Hcv NS5B Bound to An Anthranilic Acid Inhibitor, PDB code: 2qe5 was solved by R.Chopra, K.Svenson, J.Bard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.340, 101.465, 251.213, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the Structure of Hcv NS5B Bound to An Anthranilic Acid Inhibitor (pdb code 2qe5). 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 Structure of Hcv NS5B Bound to An Anthranilic Acid Inhibitor, PDB code: 2qe5:

Chlorine binding site 1 out of 1 in the Structure of Hcv NS5B Bound to An Anthranilic Acid Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Hcv NS5B Bound to An Anthranilic Acid Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl579 b:46.4 occ:1.00 CL1 A:617579 0.0 46.4 1.0 C13 A:617579 1.7 33.8 1.0 C12 A:617579 2.7 61.3 1.0 C14 A:617579 2.7 28.6 1.0 CA A:PRO197 3.3 46.6 1.0 OH A:TYR448 3.3 21.6 1.0 CD A:ARG200 3.5 21.6 1.0 N A:PRO197 3.6 60.7 1.0 O A:HOH583 3.8 22.1 1.0 CB A:ARG200 3.8 24.8 1.0 CB A:PRO197 3.9 32.9 1.0 CG A:PRO197 3.9 21.8 1.0 CD1 A:LEU384 3.9 27.7 1.0 C11 A:617579 4.0 27.2 1.0 C15 A:617579 4.0 23.4 1.0 CE A:MET414 4.1 22.8 1.0 C A:SER196 4.1 32.5 1.0 CD A:PRO197 4.2 30.5 1.0 CG A:ARG200 4.3 17.8 1.0 O A:SER196 4.3 20.5 1.0 O A:TYR195 4.4 27.5 1.0 C A:PRO197 4.4 27.7 1.0 CZ A:TYR448 4.5 56.9 1.0 O A:PRO197 4.6 21.7 1.0 C10 A:617579 4.6 35.0 1.0 NE A:ARG200 4.6 28.4 1.0 CE2 A:TYR448 4.8 22.1 1.0

T.Nittoli, K.Curran, S.Insaf, M.Digrandi, M.Orlowski, R.Chopra, A.Agarwal, A.Y.M.Howe, A.Prashad, M.B.Floyd, B.Johnson, A.Sutherland, K.Wheless, B.Feld, J.O'connell, T.S.Mansour, J.Bloom. Identification of Anthranilic Acid Derivatives As A Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase J.Med.Chem. V. 50 2108 2007.
ISSN: ISSN 0022-2623
PubMed: 17402724
DOI: 10.1021/JM061428X