Atomistry » Chlorine » PDB 5dtj-5e1x » 5e0g
Atomistry »
  Chlorine »
    PDB 5dtj-5e1x »
      5e0g »

Chlorine in PDB 5e0g: 1.20 A Resolution Structure of Norovirus 3CL Protease in Complex with A Triazole-Based Macrocyclic (17-Mer) Inhibitor

Enzymatic activity of 1.20 A Resolution Structure of Norovirus 3CL Protease in Complex with A Triazole-Based Macrocyclic (17-Mer) Inhibitor

All present enzymatic activity of 1.20 A Resolution Structure of Norovirus 3CL Protease in Complex with A Triazole-Based Macrocyclic (17-Mer) Inhibitor:
3.4.22.66;

Protein crystallography data

The structure of 1.20 A Resolution Structure of Norovirus 3CL Protease in Complex with A Triazole-Based Macrocyclic (17-Mer) Inhibitor, PDB code: 5e0g was solved by S.Lovell, K.P.Battaile, N.Mehzabeen, P.M.Weerawarna, Y.Kim, A.C.G.Kankanamalage, V.C.Damalanka, G.H.Lushington, K.R.Alliston, K.-O.Chang, W.C.Groutas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.18 / 1.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 65.842, 39.281, 61.318, 90.00, 108.73, 90.00
R / Rfree (%) 13.8 / 16.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.20 A Resolution Structure of Norovirus 3CL Protease in Complex with A Triazole-Based Macrocyclic (17-Mer) Inhibitor (pdb code 5e0g). 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 1.20 A Resolution Structure of Norovirus 3CL Protease in Complex with A Triazole-Based Macrocyclic (17-Mer) Inhibitor, PDB code: 5e0g:

Chlorine binding site 1 out of 1 in 5e0g

Go back to Chlorine Binding Sites List in 5e0g
Chlorine binding site 1 out of 1 in the 1.20 A Resolution Structure of Norovirus 3CL Protease in Complex with A Triazole-Based Macrocyclic (17-Mer) Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.20 A Resolution Structure of Norovirus 3CL Protease in Complex with A Triazole-Based Macrocyclic (17-Mer) Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:16.1
occ:1.00
 OG1 A:THR4 3.1 22.9 1.0
O A:HOH446 3.2 34.3 1.0
NE A:ARG8 3.4 12.8 1.0
NH2 A:ARG8 3.4 14.8 1.0
O A:HOH423 3.5 23.6 1.0
N A:LEU5 3.6 14.1 1.0
CB A:THR4 3.7 19.4 1.0
C A:THR4 3.8 15.6 1.0
CA A:LEU5 3.8 12.9 1.0
CZ A:ARG8 3.8 13.0 1.0
O A:THR4 4.1 16.2 1.0
CB A:LEU5 4.1 14.5 1.0
CD1 A:LEU5 4.2 19.5 1.0
CA A:THR4 4.4 16.6 1.0
CD A:ARG8 4.5 11.7 1.0
OG1 A:THR69 4.8 23.3 1.0
CG A:LEU5 4.8 16.9 1.0

Reference:

P.M.Weerawarna, Y.Kim, A.C.Galasiti Kankanamalage, V.C.Damalanka, G.H.Lushington, K.R.Alliston, N.Mehzabeen, K.P.Battaile, S.Lovell, K.O.Chang, W.C.Groutas. Structure-Based Design and Synthesis of Triazole-Based Macrocyclic Inhibitors of Norovirus Protease: Structural, Biochemical, Spectroscopic, and Antiviral Studies. Eur.J.Med.Chem. V. 119 300 2016.
ISSN: ISSN 0223-5234
PubMed: 27235842
DOI: 10.1016/J.EJMECH.2016.04.013
Page generated: Fri Jul 26 07:02:12 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy