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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

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