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Atomistry » Fluorine » PDB 7re1-7rrz » 7rmz | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 7re1-7rrz » 7rmz » |
Fluorine in PDB 7rmz: Room Temperature X-Ray Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Hl-3-63Enzymatic activity of Room Temperature X-Ray Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Hl-3-63
All present enzymatic activity of Room Temperature X-Ray Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Hl-3-63:
3.4.22.69; Protein crystallography data
The structure of Room Temperature X-Ray Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Hl-3-63, PDB code: 7rmz
was solved by
A.Kovalevsky,
D.W.Kneller,
L.Coates,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 7rmz:
The structure of Room Temperature X-Ray Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Hl-3-63 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Room Temperature X-Ray Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Hl-3-63
(pdb code 7rmz). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Room Temperature X-Ray Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Hl-3-63, PDB code: 7rmz: Jump to Fluorine binding site number: 1; 2; 3; Fluorine binding site 1 out of 3 in 7rmzGo back to Fluorine Binding Sites List in 7rmz
Fluorine binding site 1 out
of 3 in the Room Temperature X-Ray Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Hl-3-63
Mono view Stereo pair view
Fluorine binding site 2 out of 3 in 7rmzGo back to Fluorine Binding Sites List in 7rmz
Fluorine binding site 2 out
of 3 in the Room Temperature X-Ray Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Hl-3-63
Mono view Stereo pair view
Fluorine binding site 3 out of 3 in 7rmzGo back to Fluorine Binding Sites List in 7rmz
Fluorine binding site 3 out
of 3 in the Room Temperature X-Ray Structure of Sars-Cov-2 Main Protease (Mpro) in Complex with Hl-3-63
Mono view Stereo pair view
Reference:
D.W.Kneller,
H.Li,
S.Galanie,
G.Phillips,
A.Labbe,
K.L.Weiss,
Q.Zhang,
M.A.Arnould,
A.Clyde,
H.Ma,
A.Ramanathan,
C.B.Jonsson,
M.S.Head,
L.Coates,
J.M.Louis,
P.V.Bonnesen,
A.Kovalevsky.
Structural, Electronic, and Electrostatic Determinants For Inhibitor Binding to Subsites S1 and S2 in Sars-Cov-2 Main Protease. J.Med.Chem. 2021.
Page generated: Fri Aug 2 12:19:17 2024
ISSN: ISSN 0022-2623 PubMed: 34705466 DOI: 10.1021/ACS.JMEDCHEM.1C01475 |
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