Fluorine »
PDB 4rx0-4u7z »
4u01 »
Fluorine in PDB 4u01: Hcv NS3/4A Serine Protease in Complex with 6570
Protein crystallography data
The structure of Hcv NS3/4A Serine Protease in Complex with 6570, PDB code: 4u01
was solved by
C.C.Parsy,
F.-R.Alexandre,
G.Brandt,
C.Caillet,
D.Chaves,
M.Derock,
D.Gloux,
Y.Griffon,
L.B.Lallos,
F.Leroy,
M.Liuzzi,
A.-G.Loi,
B.Mayes,
L.Moulat,
A.Moussa,
M.Chiara,
V.Roques,
E.Rosinovsky,
M.Seifer,
A.Stewart,
J.Wang,
D.Standring,
D.Surleraux,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 43.23 / 2.80 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 150.034, 174.363, 133.010, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 23.3 / 29 |
Other elements in 4u01:
The structure of Hcv NS3/4A Serine Protease in Complex with 6570 also contains other interesting chemical elements:
| Chlorine | (Cl) | 4 atoms |
| Zinc | (Zn) | 9 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Hcv NS3/4A Serine Protease in Complex with 6570
(pdb code 4u01). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the Hcv NS3/4A Serine Protease in Complex with 6570, PDB code: 4u01:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;
In total 9 binding sites of Fluorine where determined in the Hcv NS3/4A Serine Protease in Complex with 6570, PDB code: 4u01:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;
Fluorine binding site 1 out of 9 in 4u01
Go back to
Fluorine Binding Sites List in 4u01
Fluorine binding site 1 out
of 9 in the Hcv NS3/4A Serine Protease in Complex with 6570
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Hcv NS3/4A Serine Protease in Complex with 6570 within 5.0Å range:
|
Fluorine binding site 2 out of 9 in 4u01
Go back to
Fluorine Binding Sites List in 4u01
Fluorine binding site 2 out
of 9 in the Hcv NS3/4A Serine Protease in Complex with 6570
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Hcv NS3/4A Serine Protease in Complex with 6570 within 5.0Å range:
|
Fluorine binding site 3 out of 9 in 4u01
Go back to
Fluorine Binding Sites List in 4u01
Fluorine binding site 3 out
of 9 in the Hcv NS3/4A Serine Protease in Complex with 6570
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Hcv NS3/4A Serine Protease in Complex with 6570 within 5.0Å range:
|
Fluorine binding site 4 out of 9 in 4u01
Go back to
Fluorine Binding Sites List in 4u01
Fluorine binding site 4 out
of 9 in the Hcv NS3/4A Serine Protease in Complex with 6570
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Hcv NS3/4A Serine Protease in Complex with 6570 within 5.0Å range:
|
Fluorine binding site 5 out of 9 in 4u01
Go back to
Fluorine Binding Sites List in 4u01
Fluorine binding site 5 out
of 9 in the Hcv NS3/4A Serine Protease in Complex with 6570
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Hcv NS3/4A Serine Protease in Complex with 6570 within 5.0Å range:
|
Fluorine binding site 6 out of 9 in 4u01
Go back to
Fluorine Binding Sites List in 4u01
Fluorine binding site 6 out
of 9 in the Hcv NS3/4A Serine Protease in Complex with 6570
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Hcv NS3/4A Serine Protease in Complex with 6570 within 5.0Å range:
|
Fluorine binding site 7 out of 9 in 4u01
Go back to
Fluorine Binding Sites List in 4u01
Fluorine binding site 7 out
of 9 in the Hcv NS3/4A Serine Protease in Complex with 6570
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Hcv NS3/4A Serine Protease in Complex with 6570 within 5.0Å range:
|
Fluorine binding site 8 out of 9 in 4u01
Go back to
Fluorine Binding Sites List in 4u01
Fluorine binding site 8 out
of 9 in the Hcv NS3/4A Serine Protease in Complex with 6570
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Hcv NS3/4A Serine Protease in Complex with 6570 within 5.0Å range:
|
Fluorine binding site 9 out of 9 in 4u01
Go back to
Fluorine Binding Sites List in 4u01
Fluorine binding site 9 out
of 9 in the Hcv NS3/4A Serine Protease in Complex with 6570
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Hcv NS3/4A Serine Protease in Complex with 6570 within 5.0Å range:
|
Reference:
C.C.Parsy,
F.R.Alexandre,
V.Bidau,
F.Bonnaterre,
G.Brandt,
C.Caillet,
S.Cappelle,
D.Chaves,
T.Convard,
M.Derock,
D.Gloux,
Y.Griffon,
L.B.Lallos,
F.Leroy,
M.Liuzzi,
A.G.Loi,
L.Moulat,
M.Chiara,
H.Rahali,
V.Roques,
E.Rosinovsky,
S.Savin,
M.Seifer,
D.Standring,
D.Surleraux.
Discovery and Structural Diversity of the Hepatitis C Virus NS3/4A Serine Protease Inhibitor Series Leading to Clinical Candidate IDX320. Bioorg.Med.Chem.Lett. V. 25 5427 2015.
ISSN: ESSN 1464-3405
PubMed: 26410074
DOI: 10.1016/J.BMCL.2015.09.009
Page generated: Thu Aug 1 05:49:53 2024
ISSN: ESSN 1464-3405
PubMed: 26410074
DOI: 10.1016/J.BMCL.2015.09.009
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