Atomistry » Fluorine » PDB 1mmd-1o5f » 1nhu
Atomistry »
  Fluorine »
    PDB 1mmd-1o5f »
      1nhu »

Fluorine in PDB 1nhu: Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor

Enzymatic activity of Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor

All present enzymatic activity of Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor:
2.7.7.48;

Protein crystallography data

The structure of Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor, PDB code: 1nhu was solved by M.Wang, K.K.S.Ng, M.M.Cherney, L.Chan, C.G.Yannopoulos, J.Bedard, N.Morin, N.Nguyen-Ba, M.H.Alaoui-Ismaili, R.C.Bethell, M.N.G.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.67 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.015, 104.684, 126.843, 90.00, 90.00, 90.00
R / Rfree (%) 21.9 / 25.6

Other elements in 1nhu:

The structure of Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor (pdb code 1nhu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor, PDB code: 1nhu:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1nhu

Go back to Fluorine Binding Sites List in 1nhu
Fluorine binding site 1 out of 6 in the Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F5001

b:55.7
occ:1.00
 F31 A:1535001 0.0 55.7 1.0
C30 A:1535001 1.3 53.4 1.0
F33 A:1535001 2.2 54.8 1.0
F32 A:1535001 2.2 55.4 1.0
C28 A:1535001 2.4 51.4 1.0
C27 A:1535001 3.2 48.5 1.0
C29 A:1535001 3.3 49.6 1.0
C20 A:1535001 3.7 46.9 1.0
CB A:ARG498 3.8 35.1 1.0
O A:HOH5277 4.1 28.9 1.0
C19 A:1535001 4.1 46.3 1.0
C21 A:1535001 4.1 45.7 1.0
CA A:ARG498 4.2 31.1 1.0
C26 A:1535001 4.4 49.5 1.0
N A:ARG498 4.5 29.6 1.0
C24 A:1535001 4.6 48.4 1.0
CD A:ARG498 4.7 47.1 1.0
CG A:ARG498 4.8 40.7 1.0
C18 A:1535001 4.8 46.6 1.0
C22 A:1535001 4.9 45.6 1.0
C25 A:1535001 5.0 49.7 1.0

Fluorine binding site 2 out of 6 in 1nhu

Go back to Fluorine Binding Sites List in 1nhu
Fluorine binding site 2 out of 6 in the Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F5001

b:55.4
occ:1.00
 F32 A:1535001 0.0 55.4 1.0
C30 A:1535001 1.4 53.4 1.0
F33 A:1535001 2.2 54.8 1.0
F31 A:1535001 2.2 55.7 1.0
C28 A:1535001 2.4 51.4 1.0
C29 A:1535001 2.8 49.6 1.0
C27 A:1535001 3.7 48.5 1.0
C24 A:1535001 4.2 48.4 1.0
C19 A:1535001 4.3 46.3 1.0
C18 A:1535001 4.5 46.6 1.0
C20 A:1535001 4.6 46.9 1.0
C26 A:1535001 4.8 49.5 1.0
C25 A:1535001 5.0 49.7 1.0

Fluorine binding site 3 out of 6 in 1nhu

Go back to Fluorine Binding Sites List in 1nhu
Fluorine binding site 3 out of 6 in the Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F5001

b:54.8
occ:1.00
 F33 A:1535001 0.0 54.8 1.0
C30 A:1535001 1.3 53.4 1.0
F32 A:1535001 2.2 55.4 1.0
F31 A:1535001 2.2 55.7 1.0
C28 A:1535001 2.4 51.4 1.0
C27 A:1535001 2.9 48.5 1.0
C29 A:1535001 3.6 49.6 1.0
C26 A:1535001 4.2 49.5 1.0
CB A:ARG498 4.7 35.1 1.0
C24 A:1535001 4.8 48.4 1.0

Fluorine binding site 4 out of 6 in 1nhu

Go back to Fluorine Binding Sites List in 1nhu
Fluorine binding site 4 out of 6 in the Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F6001

b:55.5
occ:1.00
 F31 B:1536001 0.0 55.5 1.0
C30 B:1536001 1.3 54.3 1.0
F32 B:1536001 2.2 56.7 1.0
F33 B:1536001 2.2 56.8 1.0
C28 B:1536001 2.4 51.0 1.0
C27 B:1536001 3.2 49.7 1.0
C29 B:1536001 3.3 48.5 1.0
C20 B:1536001 4.2 44.9 1.0
CB B:ARG498 4.4 34.3 1.0
C19 B:1536001 4.4 45.3 1.0
C26 B:1536001 4.4 49.4 1.0
C24 B:1536001 4.6 47.6 1.0
C21 B:1536001 4.6 43.9 1.0
O B:HOH6137 4.8 24.7 1.0
CA B:ARG498 4.9 31.1 1.0
C25 B:1536001 5.0 48.6 1.0

Fluorine binding site 5 out of 6 in 1nhu

Go back to Fluorine Binding Sites List in 1nhu
Fluorine binding site 5 out of 6 in the Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F6001

b:56.7
occ:1.00
 F32 B:1536001 0.0 56.7 1.0
C30 B:1536001 1.3 54.3 1.0
F31 B:1536001 2.2 55.5 1.0
F33 B:1536001 2.2 56.8 1.0
C28 B:1536001 2.4 51.0 1.0
C29 B:1536001 2.7 48.5 1.0
C27 B:1536001 3.7 49.7 1.0
C24 B:1536001 4.2 47.6 1.0
C19 B:1536001 4.7 45.3 1.0
C26 B:1536001 4.8 49.4 1.0
C18 B:1536001 4.8 45.2 1.0
C25 B:1536001 5.0 48.6 1.0

Fluorine binding site 6 out of 6 in 1nhu

Go back to Fluorine Binding Sites List in 1nhu
Fluorine binding site 6 out of 6 in the Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Hepatitis C Virus Rna Polymerase in Complex with Non-Nucleoside Analogue Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F6001

b:56.8
occ:1.00
 F33 B:1536001 0.0 56.8 1.0
C30 B:1536001 1.4 54.3 1.0
F31 B:1536001 2.2 55.5 1.0
F32 B:1536001 2.2 56.7 1.0
C28 B:1536001 2.4 51.0 1.0
C27 B:1536001 2.9 49.7 1.0
C29 B:1536001 3.6 48.5 1.0
C26 B:1536001 4.2 49.4 1.0
C24 B:1536001 4.8 47.6 1.0

Reference:

M.Wang, K.K.S.Ng, M.M.Cherney, L.Chan, C.G.Yannopoulos, J.Bedard, N.Morin, N.Nguyen-Ba, M.H.Alaoui-Ismaili, R.C.Bethell, M.N.G.James. Non-Nucleoside Analogue Inhibitors Bind to An Allosteric Site on Hcv NS5B Polymerase: Crystal Structures and Mechanism of Inhibition J.Biol.Chem. V. 278 9489 2003.
ISSN: ISSN 0021-9258
PubMed: 12509436
DOI: 10.1074/JBC.M209397200
Page generated: Sun Dec 13 11:31:19 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy