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Bromine in PDB 7i1d: Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment F04 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 F04 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 F04 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 F04 From the F2X-Entry Screen in Orthorhombic Space Group, PDB code: 7i1d
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) | 46.06 / 2.00 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 67.96, 99.47, 103.93, 90, 90, 90 |
| R / Rfree (%) | 22.6 / 26.8 |
Other elements in 7i1d:
The structure of Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment F04 From the F2X-Entry Screen in Orthorhombic Space Group also contains other interesting chemical elements:
| Sodium | (Na) | 1 atom |
| Chlorine | (Cl) | 1 atom |
Bromine Binding Sites:
The binding sites of Bromine atom in the Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment F04 From the F2X-Entry Screen in Orthorhombic Space Group
(pdb code 7i1d). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment F04 From the F2X-Entry Screen in Orthorhombic Space Group, PDB code: 7i1d:
Jump to Bromine binding site number: 1; 2;
In total 2 binding sites of Bromine where determined in the Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment F04 From the F2X-Entry Screen in Orthorhombic Space Group, PDB code: 7i1d:
Jump to Bromine binding site number: 1; 2;
Bromine binding site 1 out of 2 in 7i1d
Go back to
Bromine Binding Sites List in 7i1d
Bromine binding site 1 out
of 2 in the Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment F04 From the F2X-Entry Screen in Orthorhombic Space Group
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment F04 From the F2X-Entry Screen in Orthorhombic Space Group within 5.0Å range:
|
Bromine binding site 2 out of 2 in 7i1d
Go back to
Bromine Binding Sites List in 7i1d
Bromine binding site 2 out
of 2 in the Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment F04 From the F2X-Entry Screen in Orthorhombic Space Group
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Pandda Analysis Group Deposition -- Main Protease (Sars-Cov-2) in Complex with Fragment F04 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: Mon Jul 7 11:22:53 2025
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