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Nickel 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:

Chlorine (Cl) 3 atoms

Nickel Binding Sites:

The binding sites of Nickel 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 Nickel atom.
In total only one binding site of Nickel was determined in the West Nile Virus NS2B-NS3 Protease in Complex with 3,4- Dichlorophenylacetyl-Lys-Lys-Gcma, PDB code: 2yol:

Nickel binding site 1 out of 1 in 2yol

Go back to Nickel Binding Sites List in 2yol
Nickel binding site 1 out of 1 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 Nickel with other atoms in the Ni 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:Ni2171

b:44.1
occ:1.00
NE2 A:HIS1092 2.2 41.6 1.0
CE1 A:HIS1092 3.0 41.9 1.0
CD2 A:HIS1092 3.3 41.6 1.0
OD2 A:ASP1093 3.9 46.0 1.0
ND1 A:HIS1092 4.2 42.4 1.0
CG A:HIS1092 4.4 41.5 1.0
CG A:ASP1093 4.6 44.0 1.0
OD1 A:ASP1093 4.6 47.2 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: Wed Oct 9 17:08:19 2024

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