Atomistry » Chlorine » PDB 5trc-5u09 » 5tri
Atomistry »
  Chlorine »
    PDB 5trc-5u09 »
      5tri »

Chlorine in PDB 5tri: Crystal Structure of the Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase in Complex with 3-[(4-Chlorophenyl)Methoxy]-2-(1-Oxo-1,3- Dihydro-2H-Isoindol-2-Yl)Benzoic Acid

Enzymatic activity of Crystal Structure of the Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase in Complex with 3-[(4-Chlorophenyl)Methoxy]-2-(1-Oxo-1,3- Dihydro-2H-Isoindol-2-Yl)Benzoic Acid

All present enzymatic activity of Crystal Structure of the Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase in Complex with 3-[(4-Chlorophenyl)Methoxy]-2-(1-Oxo-1,3- Dihydro-2H-Isoindol-2-Yl)Benzoic Acid:
2.7.7.48;

Protein crystallography data

The structure of Crystal Structure of the Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase in Complex with 3-[(4-Chlorophenyl)Methoxy]-2-(1-Oxo-1,3- Dihydro-2H-Isoindol-2-Yl)Benzoic Acid, PDB code: 5tri was solved by S.Sheriff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.65 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.700, 91.300, 232.000, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 21.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase in Complex with 3-[(4-Chlorophenyl)Methoxy]-2-(1-Oxo-1,3- Dihydro-2H-Isoindol-2-Yl)Benzoic Acid (pdb code 5tri). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase in Complex with 3-[(4-Chlorophenyl)Methoxy]-2-(1-Oxo-1,3- Dihydro-2H-Isoindol-2-Yl)Benzoic Acid, PDB code: 5tri:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5tri

Go back to Chlorine Binding Sites List in 5tri
Chlorine binding site 1 out of 2 in the Crystal Structure of the Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase in Complex with 3-[(4-Chlorophenyl)Methoxy]-2-(1-Oxo-1,3- Dihydro-2H-Isoindol-2-Yl)Benzoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase in Complex with 3-[(4-Chlorophenyl)Methoxy]-2-(1-Oxo-1,3- Dihydro-2H-Isoindol-2-Yl)Benzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:49.7
occ:1.00
 CL1 A:7HM602 0.0 49.7 1.0
C17 A:7HM602 1.7 49.6 1.0
C18 A:7HM602 2.7 49.4 1.0
C16 A:7HM602 2.7 50.4 1.0
H36 A:7HM602 2.8 50.1 1.0
H37 A:7HM602 2.8 49.8 1.0
O A:MET414 3.2 23.3 1.0
CB A:PRO197 3.6 27.2 1.0
CB A:LEU384 3.6 21.1 1.0
O A:HOH779 3.7 19.1 1.0
CD1 A:LEU384 3.7 24.3 1.0
CE1 A:TYR415 3.8 24.6 1.0
C19 A:7HM602 4.0 49.2 1.0
C15 A:7HM602 4.0 52.0 1.0
C A:MET414 4.1 23.1 1.0
CD1 A:TYR415 4.1 24.9 1.0
CG A:PRO197 4.1 31.8 1.0
CZ A:TYR415 4.3 29.7 1.0
CG A:LEU384 4.3 25.0 1.0
CB A:MET414 4.4 21.0 1.0
CA A:PRO197 4.4 25.0 1.0
O A:HOH792 4.5 25.9 1.0
C14 A:7HM602 4.5 51.5 1.0
O A:LEU384 4.6 19.9 1.0
CA A:MET414 4.7 19.3 1.0
CE A:MET414 4.7 25.0 1.0
OH A:TYR415 4.7 24.9 1.0
CA A:LEU384 4.8 21.6 1.0
CG A:TYR415 4.8 24.4 1.0
H38 A:7HM602 4.8 49.1 1.0
H35 A:7HM602 4.8 52.0 1.0
C A:LEU384 4.9 23.4 1.0
OG A:SER368 5.0 39.2 1.0
CE2 A:TYR415 5.0 26.4 1.0

Chlorine binding site 2 out of 2 in 5tri

Go back to Chlorine Binding Sites List in 5tri
Chlorine binding site 2 out of 2 in the Crystal Structure of the Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase in Complex with 3-[(4-Chlorophenyl)Methoxy]-2-(1-Oxo-1,3- Dihydro-2H-Isoindol-2-Yl)Benzoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase in Complex with 3-[(4-Chlorophenyl)Methoxy]-2-(1-Oxo-1,3- Dihydro-2H-Isoindol-2-Yl)Benzoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl602

b:43.1
occ:1.00
 CL1 B:7HM602 0.0 43.1 1.0
C17 B:7HM602 1.7 43.6 1.0
C16 B:7HM602 2.7 43.0 1.0
C18 B:7HM602 2.7 44.3 1.0
H36 B:7HM602 2.8 43.4 1.0
H37 B:7HM602 2.9 44.3 1.0
O B:MET414 3.2 21.4 1.0
O B:HOH773 3.6 13.5 1.0
CB B:PRO197 3.6 18.6 1.0
CB B:LEU384 3.6 20.2 1.0
CD1 B:LEU384 3.7 21.6 1.0
CE1 B:TYR415 3.8 19.2 1.0
C15 B:7HM602 4.0 41.9 1.0
C19 B:7HM602 4.0 42.6 1.0
C B:MET414 4.1 22.2 1.0
CD1 B:TYR415 4.1 18.8 1.0
CG B:PRO197 4.1 23.8 1.0
CG B:LEU384 4.3 23.4 1.0
CZ B:TYR415 4.4 28.5 1.0
O B:HOH761 4.4 16.0 1.0
CA B:PRO197 4.4 17.1 1.0
CB B:MET414 4.4 21.7 1.0
C14 B:7HM602 4.5 42.6 1.0
O B:LEU384 4.6 20.6 1.0
CA B:MET414 4.7 18.8 1.0
CE B:MET414 4.7 26.7 1.0
OH B:TYR415 4.8 23.4 1.0
H35 B:7HM602 4.8 42.1 1.0
CA B:LEU384 4.8 20.9 1.0
H38 B:7HM602 4.8 42.3 1.0
CG B:TYR415 4.8 17.9 1.0
C B:LEU384 4.9 22.9 1.0
OG B:SER368 4.9 33.0 1.0

Reference:

K.Parcella, A.Nickel, B.R.Beno, S.Sheriff, C.Wan, Y.K.Wang, S.B.Roberts, N.A.Meanwell, J.F.Kadow. Discovery and Initial Optimization of Alkoxyanthranilic Acid Derivatives As Inhibitors of Hcv NS5B Polymerase. Bioorg. Med. Chem. Lett. V. 27 295 2017.
ISSN: ESSN 1464-3405
PubMed: 27908764
DOI: 10.1016/J.BMCL.2016.11.054
Page generated: Fri Jul 26 17:40:00 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy