Fluorine in PDB 8dpr: Crystal Structure of Sars-Cov-2 Main Protease in Complex with Inhibitor Tkb-248
Enzymatic activity of Crystal Structure of Sars-Cov-2 Main Protease in Complex with Inhibitor Tkb-248
All present enzymatic activity of Crystal Structure of Sars-Cov-2 Main Protease in Complex with Inhibitor Tkb-248:
3.4.22.69;
3.4.22.69;
Protein crystallography data
The structure of Crystal Structure of Sars-Cov-2 Main Protease in Complex with Inhibitor Tkb-248, PDB code: 8dpr
was solved by
H.Bulut,
H.Hayashi,
K.Tsuji,
N.Kuwata,
D.Das,
H.Tamamura,
H.Mitsuya,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 56.52 / 2.00 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 115.403, 53.926, 45.678, 90, 101.63, 90 |
| R / Rfree (%) | 19 / 24.7 |
Other elements in 8dpr:
The structure of Crystal Structure of Sars-Cov-2 Main Protease in Complex with Inhibitor Tkb-248 also contains other interesting chemical elements:
| Zinc | (Zn) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Sars-Cov-2 Main Protease in Complex with Inhibitor Tkb-248
(pdb code 8dpr). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Sars-Cov-2 Main Protease in Complex with Inhibitor Tkb-248, PDB code: 8dpr:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Sars-Cov-2 Main Protease in Complex with Inhibitor Tkb-248, PDB code: 8dpr:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 8dpr
Go back to
Fluorine Binding Sites List in 8dpr
Fluorine binding site 1 out
of 4 in the Crystal Structure of Sars-Cov-2 Main Protease in Complex with Inhibitor Tkb-248
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 in Complex with Inhibitor Tkb-248 within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 8dpr
Go back to
Fluorine Binding Sites List in 8dpr
Fluorine binding site 2 out
of 4 in the Crystal Structure of Sars-Cov-2 Main Protease in Complex with Inhibitor Tkb-248
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 in Complex with Inhibitor Tkb-248 within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 8dpr
Go back to
Fluorine Binding Sites List in 8dpr
Fluorine binding site 3 out
of 4 in the Crystal Structure of Sars-Cov-2 Main Protease in Complex with Inhibitor Tkb-248
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 in Complex with Inhibitor Tkb-248 within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 8dpr
Go back to
Fluorine Binding Sites List in 8dpr
Fluorine binding site 4 out
of 4 in the Crystal Structure of Sars-Cov-2 Main Protease in Complex with Inhibitor Tkb-248
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 in Complex with Inhibitor Tkb-248 within 5.0Å range:
|
Reference:
H.Bulut,
H.Hayashi,
K.Tsuji,
N.Higashi-Kuwata,
D.Das,
H.Tamamura,
H.Mitsuya.
A Small Molecule Compound Inhibits the Main Protease of Sars-Cov-2 and Blocks Virus Replication. To Be Published.
Page generated: Wed Apr 5 02:15:04 2023
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