Fluorine in PDB 8h3k: Crystal Structure of Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
Enzymatic activity of Crystal Structure of Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
All present enzymatic activity of Crystal Structure of Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir:
3.4.22.69;
3.4.22.69;
Protein crystallography data
The structure of Crystal Structure of Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir, PDB code: 8h3k
was solved by
H.Wang,
M.Lin,
Y.Duan,
X.Zhang,
H.Zhou,
Q.Bian,
X.Liu,
Z.Rao,
H.Yang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 52.83 / 1.80 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 55.543, 98.875, 58.991, 90, 108, 90 |
| R / Rfree (%) | 16.8 / 20.1 |
Other elements in 8h3k:
The structure of Crystal Structure of Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
(pdb code 8h3k). 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 Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir, PDB code: 8h3k:
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 Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir, PDB code: 8h3k:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 8h3k
Go back to
Fluorine Binding Sites List in 8h3k
Fluorine binding site 1 out
of 6 in the Crystal Structure of Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
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 Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 8h3k
Go back to
Fluorine Binding Sites List in 8h3k
Fluorine binding site 2 out
of 6 in the Crystal Structure of Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
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 Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 8h3k
Go back to
Fluorine Binding Sites List in 8h3k
Fluorine binding site 3 out
of 6 in the Crystal Structure of Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
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 Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 8h3k
Go back to
Fluorine Binding Sites List in 8h3k
Fluorine binding site 4 out
of 6 in the Crystal Structure of Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
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 Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 8h3k
Go back to
Fluorine Binding Sites List in 8h3k
Fluorine binding site 5 out
of 6 in the Crystal Structure of Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
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 Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 8h3k
Go back to
Fluorine Binding Sites List in 8h3k
Fluorine binding site 6 out
of 6 in the Crystal Structure of Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
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 Sars-Cov-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir within 5.0Å range:
|
Reference:
Y.Duan,
H.Zhou,
X.Liu,
S.Iketani,
M.Lin,
X.Zhang,
Q.Bian,
H.Wang,
H.Sun,
S.J.Hong,
B.Culbertson,
H.Mohri,
M.I.Luck,
Y.Zhu,
X.Liu,
Y.Lu,
X.Yang,
K.Yang,
Y.Sabo,
A.Chavez,
S.P.Goff,
Z.Rao,
D.D.Ho,
H.Yang.
Molecular Mechanisms of Sars-Cov-2 Resistance to Nirmatrelvir. Nature 2023.
ISSN: ESSN 1476-4687
PubMed: 37696289
DOI: 10.1038/S41586-023-06609-0
Page generated: Fri Aug 2 20:00:10 2024
ISSN: ESSN 1476-4687
PubMed: 37696289
DOI: 10.1038/S41586-023-06609-0
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