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Fluorine in PDB 7m91: Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25
Enzymatic activity of Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25
All present enzymatic activity of Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25:
3.4.22.69;
3.4.22.69;
Protein crystallography data
The structure of Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25, PDB code: 7m91
was solved by
M.G.Deshmukh,
J.A.Ippolito,
C.H.Zhang,
W.L.Jorgensen,
K.S.Anderson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 48.78 / 1.95 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 97.817, 80.913, 54.546, 90, 116.58, 90 |
| R / Rfree (%) | 19.8 / 23.3 |
Other elements in 7m91:
The structure of Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25 also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25
(pdb code 7m91). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25, PDB code: 7m91:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25, PDB code: 7m91:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 7m91
Go back to
Fluorine Binding Sites List in 7m91
Fluorine binding site 1 out
of 3 in the Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25
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 Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25 within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 7m91
Go back to
Fluorine Binding Sites List in 7m91
Fluorine binding site 2 out
of 3 in the Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25
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 Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25 within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 7m91
Go back to
Fluorine Binding Sites List in 7m91
Fluorine binding site 3 out
of 3 in the Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25
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 3 of Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25 within 5.0Å range:
|
Reference:
M.G.Deshmukh,
J.A.Ippolito,
C.-H.Zhang,
E.A.Stone,
R.A.Reilly,
S.J.Miller,
W.L.Jorgensen,
K.S.Anderson.
Structure-Guided Design of A Perampanel-Derived Pharmacophore Targeting the Sars-Cov-2 Main Protease Structure 2021.
ISSN: ISSN 0969-2126
DOI: 10.1016/J.STR.2021.06.002
Page generated: Tue Jul 15 21:35:08 2025
ISSN: ISSN 0969-2126
DOI: 10.1016/J.STR.2021.06.002
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