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Bromine in PDB 8did: Virtual Screening For Novel Sars-Cov-2 Main Protease Non-Covalent and Covalent InhibitorsEnzymatic activity of Virtual Screening For Novel Sars-Cov-2 Main Protease Non-Covalent and Covalent Inhibitors
All present enzymatic activity of Virtual Screening For Novel Sars-Cov-2 Main Protease Non-Covalent and Covalent Inhibitors:
3.4.22.69; Protein crystallography data
The structure of Virtual Screening For Novel Sars-Cov-2 Main Protease Non-Covalent and Covalent Inhibitors, PDB code: 8did
was solved by
I.Singh,
B.K.Shoichet,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 8did:
The structure of Virtual Screening For Novel Sars-Cov-2 Main Protease Non-Covalent and Covalent Inhibitors also contains other interesting chemical elements:
Bromine Binding Sites:
The binding sites of Bromine atom in the Virtual Screening For Novel Sars-Cov-2 Main Protease Non-Covalent and Covalent Inhibitors
(pdb code 8did). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Virtual Screening For Novel Sars-Cov-2 Main Protease Non-Covalent and Covalent Inhibitors, PDB code: 8did: Jump to Bromine binding site number: 1; 2; 3; 4; Bromine binding site 1 out of 4 in 8didGo back to Bromine Binding Sites List in 8did
Bromine binding site 1 out
of 4 in the Virtual Screening For Novel Sars-Cov-2 Main Protease Non-Covalent and Covalent Inhibitors
Mono view Stereo pair view
Bromine binding site 2 out of 4 in 8didGo back to Bromine Binding Sites List in 8did
Bromine binding site 2 out
of 4 in the Virtual Screening For Novel Sars-Cov-2 Main Protease Non-Covalent and Covalent Inhibitors
Mono view Stereo pair view
Bromine binding site 3 out of 4 in 8didGo back to Bromine Binding Sites List in 8did
Bromine binding site 3 out
of 4 in the Virtual Screening For Novel Sars-Cov-2 Main Protease Non-Covalent and Covalent Inhibitors
Mono view Stereo pair view
Bromine binding site 4 out of 4 in 8didGo back to Bromine Binding Sites List in 8did
Bromine binding site 4 out
of 4 in the Virtual Screening For Novel Sars-Cov-2 Main Protease Non-Covalent and Covalent Inhibitors
Mono view Stereo pair view
Reference:
E.A.Fink,
C.Bardine,
S.Gahbauer,
I.Singh,
T.Detomasi,
K.White,
S.Gu,
X.Wan,
J.Chen,
B.Ary,
I.Glenn,
J.O'connell,
H.O'donnell,
P.Fajtova,
J.Lyu,
S.Vigneron,
N.J.Young,
I.S.Kondratov,
A.Alisoltani,
L.M.Simons,
R.Lorenzo-Redondo,
E.A.Ozer,
J.F.Hultquist,
A.J.O'donoghue,
Y.Moroz,
J.Taunton,
A.R.Renslo,
J.J.Irwin,
A.Garcia-Sastre,
B.K.Shoichet,
C.S.Craik.
Large Library Docking For Novel Sars-Cov-2 Main Protease Non-Covalent and Covalent Inhibitors. Protein Sci. E4712 2023.
Page generated: Thu Jul 11 05:03:24 2024
ISSN: ESSN 1469-896X PubMed: 37354015 DOI: 10.1002/PRO.4712 |
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