Atomistry » Chlorine » PDB 2yjb-2yzr » 2yol
Atomistry »
  Chlorine »
    PDB 2yjb-2yzr »
      2yol »

Chlorine in PDB 2yol: West Nile Virus NS2B-NS3 Protease in Complex with 3,4- Dichlorophenylacetyl-Lys-Lys-Gcma

Enzymatic activity of West Nile Virus NS2B-NS3 Protease in Complex with 3,4- Dichlorophenylacetyl-Lys-Lys-Gcma

All present enzymatic activity of West Nile Virus NS2B-NS3 Protease in Complex with 3,4- Dichlorophenylacetyl-Lys-Lys-Gcma:
3.4.21.91; 3.6.1.15; 3.6.4.13;

Protein crystallography data

The structure of West Nile Virus NS2B-NS3 Protease in Complex with 3,4- Dichlorophenylacetyl-Lys-Lys-Gcma, PDB code: 2yol was solved by C.Haase, R.Hilgenfeld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 102.77 / 3.20
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 118.700, 118.700, 66.300, 90.00, 90.00, 120.00
R / Rfree (%) 18.759 / 20.681

Other elements in 2yol:

The structure of West Nile Virus NS2B-NS3 Protease in Complex with 3,4- Dichlorophenylacetyl-Lys-Lys-Gcma also contains other interesting chemical elements:

Nickel (Ni) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the West Nile Virus NS2B-NS3 Protease in Complex with 3,4- Dichlorophenylacetyl-Lys-Lys-Gcma (pdb code 2yol). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the West Nile Virus NS2B-NS3 Protease in Complex with 3,4- Dichlorophenylacetyl-Lys-Lys-Gcma, PDB code: 2yol:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2yol

Go back to Chlorine Binding Sites List in 2yol
Chlorine binding site 1 out of 3 in the West Nile Virus NS2B-NS3 Protease in Complex with 3,4- Dichlorophenylacetyl-Lys-Lys-Gcma


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of West Nile Virus NS2B-NS3 Protease in Complex with 3,4- Dichlorophenylacetyl-Lys-Lys-Gcma within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2069

b:58.9
occ:1.00
 N A:ILE60 3.5 46.3 1.0
CG2 A:THR1020 3.7 43.5 1.0
OD1 A:ASP59 3.7 50.1 1.0
NH2 A:ARG56 3.9 48.1 1.0
CG1 A:ILE60 4.1 45.1 1.0
CA A:ASP59 4.1 46.2 1.0
CB A:ASP59 4.2 46.6 1.0
CB A:ILE60 4.2 45.6 1.0
CG A:ASP59 4.3 48.2 1.0
CA A:GLY1021 4.3 39.9 1.0
C A:ASP59 4.3 46.3 1.0
CA A:ILE60 4.4 46.0 1.0
O A:ILE60 4.4 46.4 1.0
O A:THR1020 4.4 41.5 1.0
C A:THR1020 4.5 42.0 1.0
N A:GLY1021 4.5 40.9 1.0
CD1 A:ILE60 4.7 43.6 1.0
CB A:THR1020 4.7 43.3 1.0
C A:ILE60 4.8 46.4 1.0

Chlorine binding site 2 out of 3 in 2yol

Go back to Chlorine Binding Sites List in 2yol
Chlorine binding site 2 out of 3 in the West Nile Virus NS2B-NS3 Protease in Complex with 3,4- Dichlorophenylacetyl-Lys-Lys-Gcma


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of West Nile Virus NS2B-NS3 Protease in Complex with 3,4- Dichlorophenylacetyl-Lys-Lys-Gcma within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2170

b:66.4
occ:1.00
 CLL A:EBN2170 0.0 66.4 1.0
CBK A:EBN2170 1.7 62.8 1.0
CBJ A:EBN2170 2.7 60.5 1.0
CBM A:EBN2170 2.7 62.9 1.0
CLN A:EBN2170 3.1 66.5 1.0
CBI A:EBN2170 3.9 59.4 1.0
CBO A:EBN2170 3.9 60.7 1.0
CBH A:EBN2170 4.4 59.3 1.0
CAH A:EBN2170 4.9 38.3 1.0
CB A:THR1132 4.9 42.3 1.0
CAG A:EBN2170 4.9 36.9 1.0

Chlorine binding site 3 out of 3 in 2yol

Go back to Chlorine Binding Sites List in 2yol
Chlorine binding site 3 out of 3 in the West Nile Virus NS2B-NS3 Protease in Complex with 3,4- Dichlorophenylacetyl-Lys-Lys-Gcma


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of West Nile Virus NS2B-NS3 Protease in Complex with 3,4- Dichlorophenylacetyl-Lys-Lys-Gcma within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2170

b:66.5
occ:1.00
 CLN A:EBN2170 0.0 66.5 1.0
CBM A:EBN2170 1.8 62.9 1.0
CBO A:EBN2170 2.8 60.7 1.0
CBK A:EBN2170 2.8 62.8 1.0
CLL A:EBN2170 3.1 66.4 1.0
OG1 A:THR1132 3.7 43.3 1.0
O A:EBN2170 3.8 47.7 1.0
CB A:THR1132 3.9 42.3 1.0
CBH A:EBN2170 4.0 59.3 1.0
CBJ A:EBN2170 4.1 60.5 1.0
CAH A:EBN2170 4.3 38.3 1.0
CG2 A:THR1132 4.5 42.2 1.0
CBI A:EBN2170 4.6 59.4 1.0
C A:EBN2170 5.0 47.1 1.0

Reference:

M.Z.Hammamy, C.Haase, M.Hammami, R.Hilgenfeld, T.Steinmetzer. Development and Characterization of New Peptidomimetic Inhibitors of the West Nile Virus NS2B-NS3 Protease. Chemmedchem V. 8 231 2013.
ISSN: ISSN 1860-7179
PubMed: 23307694
DOI: 10.1002/CMDC.201200497
Page generated: Fri Jul 11 02:44:39 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy