Fluorine in PDB 7mm6: Crystal Structure of Hcv NS3/4A Protease in Complex with NR02-49
Enzymatic activity of Crystal Structure of Hcv NS3/4A Protease in Complex with NR02-49
All present enzymatic activity of Crystal Structure of Hcv NS3/4A Protease in Complex with NR02-49:
3.4.21.98;
3.4.21.98;
Protein crystallography data
The structure of Crystal Structure of Hcv NS3/4A Protease in Complex with NR02-49, PDB code: 7mm6
was solved by
J.Zephyr,
C.A.Schiffer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 26.18 / 2.00 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 54.613, 58.646, 59.648, 90, 90, 90 |
| R / Rfree (%) | 17.4 / 19.6 |
Other elements in 7mm6:
The structure of Crystal Structure of Hcv NS3/4A Protease in Complex with NR02-49 also contains other interesting chemical elements:
| Zinc | (Zn) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Hcv NS3/4A Protease in Complex with NR02-49
(pdb code 7mm6). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Hcv NS3/4A Protease in Complex with NR02-49, PDB code: 7mm6:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Hcv NS3/4A Protease in Complex with NR02-49, PDB code: 7mm6:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 7mm6
Go back to
Fluorine Binding Sites List in 7mm6
Fluorine binding site 1 out
of 3 in the Crystal Structure of Hcv NS3/4A Protease in Complex with NR02-49
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 Hcv NS3/4A Protease in Complex with NR02-49 within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 7mm6
Go back to
Fluorine Binding Sites List in 7mm6
Fluorine binding site 2 out
of 3 in the Crystal Structure of Hcv NS3/4A Protease in Complex with NR02-49
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 Hcv NS3/4A Protease in Complex with NR02-49 within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 7mm6
Go back to
Fluorine Binding Sites List in 7mm6
Fluorine binding site 3 out
of 3 in the Crystal Structure of Hcv NS3/4A Protease in Complex with NR02-49
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 Hcv NS3/4A Protease in Complex with NR02-49 within 5.0Å range:
|
Reference:
J.Zephyr,
D.Nageswara Rao,
S.V.Vo,
M.Henes,
K.Kosovrasti,
A.N.Matthew,
A.K.Hedger,
J.Timm,
E.T.Chan,
A.Ali,
N.Kurt Yilmaz,
C.A.Schiffer.
Deciphering the Molecular Mechanism of Hcv Protease Inhibitor Fluorination As A General Approach to Avoid Drug Resistance. J.Mol.Biol. V. 434 67503 2022.
ISSN: ESSN 1089-8638
PubMed: 35183560
DOI: 10.1016/J.JMB.2022.167503
Page generated: Fri Aug 2 09:32:18 2024
ISSN: ESSN 1089-8638
PubMed: 35183560
DOI: 10.1016/J.JMB.2022.167503
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