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Fluorine in PDB 7tiz: Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor NK01-63Enzymatic activity of Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor NK01-63
All present enzymatic activity of Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor NK01-63:
3.4.22.69; Protein crystallography data
The structure of Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor NK01-63, PDB code: 7tiz
was solved by
F.Forouhar,
H.Liu,
S.Iketani,
A.Zack,
N.Khanizeman,
E.Bednarova,
B.Fowler,
S.J.Hong,
H.Mohri,
M.S.Nair,
Y.Huang,
N.E.S.Tay,
S.Lee,
C.Karan,
S.J.Resnick,
C.Quinn,
W.Li,
H.Shion,
C.Jurtschenko,
M.A.Lauber,
T.Mcdonald,
M.E.Stokes,
B.Hurst,
T.Rovis,
A.Chavez,
D.D.Ho,
B.R.Stockwell,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 7tiz:
The structure of Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor NK01-63 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor NK01-63
(pdb code 7tiz). 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 Sars-Cov-2 3CL in Complex with Inhibitor NK01-63, PDB code: 7tiz: Jump to Fluorine binding site number: 1; 2; 3; Fluorine binding site 1 out of 3 in 7tizGo back to Fluorine Binding Sites List in 7tiz
Fluorine binding site 1 out
of 3 in the Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor NK01-63
Mono view Stereo pair view
Fluorine binding site 2 out of 3 in 7tizGo back to Fluorine Binding Sites List in 7tiz
Fluorine binding site 2 out
of 3 in the Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor NK01-63
Mono view Stereo pair view
Fluorine binding site 3 out of 3 in 7tizGo back to Fluorine Binding Sites List in 7tiz
Fluorine binding site 3 out
of 3 in the Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor NK01-63
Mono view Stereo pair view
Reference:
H.Liu,
S.Iketani,
A.Zask,
N.Khanizeman,
E.Bednarova,
F.Forouhar,
B.Fowler,
S.J.Hong,
H.Mohri,
M.S.Nair,
Y.Huang,
N.E.S.Tay,
S.Lee,
C.Karan,
S.J.Resnick,
C.Quinn,
W.Li,
H.Shion,
X.Xia,
J.D.Daniels,
M.Bartolo-Cruz,
M.Farina,
P.Rajbhandari,
C.Jurtschenko,
M.A.Lauber,
T.Mcdonald,
M.E.Stokes,
B.L.Hurst,
T.Rovis,
A.Chavez,
D.D.Ho,
B.R.Stockwell.
Development of Optimized Drug-Like Small Molecule Inhibitors of the Sars-Cov-2 3CL Protease For Treatment of Covid-19. Nat Commun V. 13 1891 2022.
Page generated: Wed Apr 5 01:16:00 2023
ISSN: ESSN 2041-1723 PubMed: 35393402 DOI: 10.1038/S41467-022-29413-2 |
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