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Fluorine in PDB 7i18: Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment D04 From the F2X-Entry Screen in Orthorhombic Space Group
Enzymatic activity of Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment D04 From the F2X-Entry Screen in Orthorhombic Space Group
All present enzymatic activity of Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment D04 From the F2X-Entry Screen in Orthorhombic Space Group:
3.4.22.69;
3.4.22.69;
Protein crystallography data
The structure of Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment D04 From the F2X-Entry Screen in Orthorhombic Space Group, PDB code: 7i18
was solved by
T.Barthel,
L.S.Benz,
J.Wollenhaupt,
M.S.Weiss,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 45.89 / 2.00 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 68.05, 99.28, 103.5, 90, 90, 90 |
| R / Rfree (%) | 21 / 25.5 |
Other elements in 7i18:
The structure of Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment D04 From the F2X-Entry Screen in Orthorhombic Space Group also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment D04 From the F2X-Entry Screen in Orthorhombic Space Group
(pdb code 7i18). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment D04 From the F2X-Entry Screen in Orthorhombic Space Group, PDB code: 7i18:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment D04 From the F2X-Entry Screen in Orthorhombic Space Group, PDB code: 7i18:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 7i18
Go back to
Fluorine Binding Sites List in 7i18
Fluorine binding site 1 out
of 2 in the Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment D04 From the F2X-Entry Screen in Orthorhombic Space Group
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 Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment D04 From the F2X-Entry Screen in Orthorhombic Space Group within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 7i18
Go back to
Fluorine Binding Sites List in 7i18
Fluorine binding site 2 out
of 2 in the Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment D04 From the F2X-Entry Screen in Orthorhombic Space Group
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 Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment D04 From the F2X-Entry Screen in Orthorhombic Space Group within 5.0Å range:
|
Reference:
T.Barthel,
J.Wollenhaupt,
L.S.Benz,
P.Reincke,
L.Zhang,
F.Lennartz,
H.Tabermann,
U.Mueller,
A.Meente,
R.Hilgenfeld,
M.S.Weiss.
Orthorhombic Sars-Cov-2 Main Protease Crystals Provide Higher Success Rate in Fragment Screening To Be Published.
Page generated: Tue Jul 15 20:24:31 2025
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