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Atomistry » Fluorine » PDB 7aym-7biv » 7b2u | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 7aym-7biv » 7b2u » |
Fluorine in PDB 7b2u: Crystal Structure of Sars-Cov-2 Main Protease (NSP5) in Complex with Compound 1Enzymatic activity of Crystal Structure of Sars-Cov-2 Main Protease (NSP5) in Complex with Compound 1
All present enzymatic activity of Crystal Structure of Sars-Cov-2 Main Protease (NSP5) in Complex with Compound 1:
3.4.22.69; Protein crystallography data
The structure of Crystal Structure of Sars-Cov-2 Main Protease (NSP5) in Complex with Compound 1, PDB code: 7b2u
was solved by
V.O.Talibov,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Sars-Cov-2 Main Protease (NSP5) in Complex with Compound 1
(pdb code 7b2u). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Sars-Cov-2 Main Protease (NSP5) in Complex with Compound 1, PDB code: 7b2u: Jump to Fluorine binding site number: 1; 2; Fluorine binding site 1 out of 2 in 7b2uGo back to Fluorine Binding Sites List in 7b2u
Fluorine binding site 1 out
of 2 in the Crystal Structure of Sars-Cov-2 Main Protease (NSP5) in Complex with Compound 1
Mono view Stereo pair view
Fluorine binding site 2 out of 2 in 7b2uGo back to Fluorine Binding Sites List in 7b2u
Fluorine binding site 2 out
of 2 in the Crystal Structure of Sars-Cov-2 Main Protease (NSP5) in Complex with Compound 1
Mono view Stereo pair view
Reference:
A.Luttens,
H.Gullberg,
E.Abdurakhmanov,
D.D.Vo,
D.Akaberi,
V.O.Talibov,
N.Nekhotiaeva,
L.Vangeel,
S.De Jonghe,
D.Jochmans,
J.Krambrich,
A.Tas,
B.Lundgren,
Y.Gravenfors,
A.J.Craig,
Y.Atilaw,
A.Sandstrom,
L.W.K.Moodie,
A.Lundkvist,
M.J.Van Hemert,
J.Neyts,
J.Lennerstrand,
J.Kihlberg,
K.Sandberg,
U.H.Danielson,
J.Carlsson.
Ultralarge Virtual Screening Identifies Sars-Cov-2 Main Protease Inhibitors with Broad-Spectrum Activity Against Coronaviruses. J.Am.Chem.Soc. V. 144 2905 2022.
Page generated: Fri Aug 2 05:54:25 2024
ISSN: ESSN 1520-5126 PubMed: 35142215 DOI: 10.1021/JACS.1C08402 |
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