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Fluorine in PDB 6bqj: Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16)
Protein crystallography data
The structure of Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16), PDB code: 6bqj
was solved by
H.E.Klei,
J.S.Sack,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 24.73 / 1.69 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 88.440, 57.470, 89.830, 90.00, 115.00, 90.00 |
| R / Rfree (%) | 19.7 / 20.6 |
Other elements in 6bqj:
The structure of Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16) also contains other interesting chemical elements:
| Chlorine | (Cl) | 3 atoms |
| Zinc | (Zn) | 3 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16)
(pdb code 6bqj). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16), PDB code: 6bqj:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16), PDB code: 6bqj:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 6bqj
Go back to
Fluorine Binding Sites List in 6bqj
Fluorine binding site 1 out
of 6 in the Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16)
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 Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16) within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 6bqj
Go back to
Fluorine Binding Sites List in 6bqj
Fluorine binding site 2 out
of 6 in the Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16)
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 Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16) within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 6bqj
Go back to
Fluorine Binding Sites List in 6bqj
Fluorine binding site 3 out
of 6 in the Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16)
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 Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16) within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 6bqj
Go back to
Fluorine Binding Sites List in 6bqj
Fluorine binding site 4 out
of 6 in the Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16)
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 Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16) within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 6bqj
Go back to
Fluorine Binding Sites List in 6bqj
Fluorine binding site 5 out
of 6 in the Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16)
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 Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16) within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 6bqj
Go back to
Fluorine Binding Sites List in 6bqj
Fluorine binding site 6 out
of 6 in the Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16)
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 Crystal Structure of Hepatis C Virus Protease (NS3) Complexed with Tripeptidic Acyl Sulfonamide Inhibitor (Compound 16) within 5.0Å range:
|
Reference:
B.Zheng,
S.V.D'andrea,
L.Q.Sun,
A.X.Wang,
Y.Chen,
P.Hrnciar,
J.Friborg,
P.Falk,
D.Hernandez,
F.Yu,
A.K.Sheaffer,
J.O.Knipe,
K.Mosure,
R.Rajamani,
A.C.Good,
K.Kish,
J.Tredup,
H.E.Klei,
M.Paruchuri,
A.Ng,
Q.Gao,
R.A.Rampulla,
A.Mathur,
N.A.Meanwell,
F.Mcphee,
P.M.Scola.
Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of A Difluoromethyl Group As A Hydrogen-Bond Donor. Acs Med Chem Lett V. 9 143 2018.
ISSN: ISSN 1948-5875
PubMed: 29456803
DOI: 10.1021/ACSMEDCHEMLETT.7B00503
Page generated: Tue Jul 15 10:12:14 2025
ISSN: ISSN 1948-5875
PubMed: 29456803
DOI: 10.1021/ACSMEDCHEMLETT.7B00503
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