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Fluorine in PDB 4ow0: X-Ray Structural and Biological Evaluation of A Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases
Enzymatic activity of X-Ray Structural and Biological Evaluation of A Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases
All present enzymatic activity of X-Ray Structural and Biological Evaluation of A Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases:
3.4.19.12; 3.4.22.69;
3.4.19.12; 3.4.22.69;
Protein crystallography data
The structure of X-Ray Structural and Biological Evaluation of A Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases, PDB code: 4ow0
was solved by
Y.M.Baez-Santos,
A.Mesecar,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 31.79 / 2.10 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 119.421, 74.388, 98.328, 90.00, 104.11, 90.00 |
| R / Rfree (%) | 17.6 / 20.5 |
Other elements in 4ow0:
The structure of X-Ray Structural and Biological Evaluation of A Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases also contains other interesting chemical elements:
| Zinc | (Zn) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the X-Ray Structural and Biological Evaluation of A Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases
(pdb code 4ow0). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the X-Ray Structural and Biological Evaluation of A Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases, PDB code: 4ow0:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the X-Ray Structural and Biological Evaluation of A Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases, PDB code: 4ow0:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 4ow0
Go back to
Fluorine Binding Sites List in 4ow0
Fluorine binding site 1 out
of 2 in the X-Ray Structural and Biological Evaluation of A Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases
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 X-Ray Structural and Biological Evaluation of A Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 4ow0
Go back to
Fluorine Binding Sites List in 4ow0
Fluorine binding site 2 out
of 2 in the X-Ray Structural and Biological Evaluation of A Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases
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 X-Ray Structural and Biological Evaluation of A Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases within 5.0Å range:
|
Reference:
Y.M.Baez-Santos,
S.J.Barraza,
M.W.Wilson,
M.P.Agius,
A.M.Mielech,
N.M.Davis,
S.C.Baker,
S.D.Larsen,
A.D.Mesecar.
X-Ray Structural and Biological Evaluation of A Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases. J.Med.Chem. V. 57 2393 2014.
ISSN: ISSN 1520-4804
PubMed: 24568342
DOI: 10.1021/JM401712T
Page generated: Sun Dec 13 12:10:05 2020
ISSN: ISSN 1520-4804
PubMed: 24568342
DOI: 10.1021/JM401712T
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