Zinc in PDB 3ciz: Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B in Complex with Small Molecule Fragments

Enzymatic activity of Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B in Complex with Small Molecule Fragments

All present enzymatic activity of Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B in Complex with Small Molecule Fragments:
2.7.7.48;

Protein crystallography data

The structure of Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B in Complex with Small Molecule Fragments, PDB code: 3ciz was solved by J.Hendle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 1.87
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.055, 106.454, 127.051, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 23.5

Other elements in 3ciz:

The structure of Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B in Complex with Small Molecule Fragments also contains other interesting chemical elements:

Bromine (Br) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B in Complex with Small Molecule Fragments (pdb code 3ciz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B in Complex with Small Molecule Fragments, PDB code: 3ciz:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3ciz

Go back to Zinc Binding Sites List in 3ciz
Zinc binding site 1 out of 2 in the Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B in Complex with Small Molecule Fragments


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B in Complex with Small Molecule Fragments within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn571

b:36.1
occ:1.00
 NE2 A:HIS1 2.1 22.7 1.0
O A:HOH896 2.5 25.9 1.0
CE1 A:HIS1 2.8 21.5 1.0
CD2 A:HIS1 3.2 18.0 1.0
ND1 A:HIS1 3.9 22.5 1.0
CG A:HIS1 4.2 23.3 1.0
N A:HIS0 5.0 32.8 1.0

Zinc binding site 2 out of 2 in 3ciz

Go back to Zinc Binding Sites List in 3ciz
Zinc binding site 2 out of 2 in the Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B in Complex with Small Molecule Fragments


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Hepatitis C Virus Rna-Dependent Rna Polymerase NS5B in Complex with Small Molecule Fragments within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn571

b:29.9
occ:1.00
 NE2 B:HIS1 2.1 19.5 1.0
O B:HOH808 2.3 24.1 1.0
CE1 B:HIS1 2.9 21.0 1.0
CD2 B:HIS1 3.1 19.4 1.0
ND1 B:HIS1 4.0 22.8 1.0
CG B:HIS1 4.1 18.8 1.0
N B:HIS0 4.7 28.1 1.0
O B:HIS0 5.0 26.3 1.0

Reference:

S.S.Antonysamy, B.Aubol, J.Blaney, M.F.Browner, A.M.Giannetti, S.F.Harris, N.Hebert, J.Hendle, S.Hopkins, E.Jefferson, C.Kissinger, V.Leveque, D.Marciano, E.Mcgee, I.Najera, B.Nolan, M.Tomimoto, E.Torres, T.Wright. Fragment-Based Discovery of Hepatitis C Virus NS5B Rna Polymerase Inhibitors. Bioorg.Med.Chem.Lett. V. 18 2990 2008.
ISSN: ISSN 0960-894X
PubMed: 18400495
DOI: 10.1016/J.BMCL.2008.03.056
Page generated: Thu Oct 24 11:49:46 2024

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