Fluorine in PDB 8v8e: Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv)
Enzymatic activity of Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv)
All present enzymatic activity of Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv):
3.4.22.69;
3.4.22.69;
Protein crystallography data
The structure of Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv), PDB code: 8v8e
was solved by
A.Kovalevsky,
L.Coates,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 28.83 / 2.00 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 53.476, 62.641, 58.583, 90, 100.23, 90 |
| R / Rfree (%) | 14.9 / 19.3 |
Other elements in 8v8e:
The structure of Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv) also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv)
(pdb code 8v8e). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv), PDB code: 8v8e:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv), PDB code: 8v8e:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 8v8e
Go back to
Fluorine Binding Sites List in 8v8e
Fluorine binding site 1 out
of 6 in the Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv)
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 Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv) within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 8v8e
Go back to
Fluorine Binding Sites List in 8v8e
Fluorine binding site 2 out
of 6 in the Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv)
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 Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv) within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 8v8e
Go back to
Fluorine Binding Sites List in 8v8e
Fluorine binding site 3 out
of 6 in the Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv)
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 Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv) within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 8v8e
Go back to
Fluorine Binding Sites List in 8v8e
Fluorine binding site 4 out
of 6 in the Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv)
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 4 of Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv) within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 8v8e
Go back to
Fluorine Binding Sites List in 8v8e
Fluorine binding site 5 out
of 6 in the Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv)
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 5 of Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv) within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 8v8e
Go back to
Fluorine Binding Sites List in 8v8e
Fluorine binding site 6 out
of 6 in the Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv)
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 6 of Room-Temperature X-Ray Structure of Sars-Cov-2 Main Protease Catalytic Domain (Residues 1-199-6H) in Complex with Ensitrelvir (Esv) within 5.0Å range:
|
Reference:
A.Kovalevsky,
A.Aniana,
L.Coates,
R.Ghirlando,
N.T.Nashed,
J.M.Louis.
Visualizing the Active Site Oxyanion Loop Transition Upon Ensitrelvir Binding and Transient Dimerization of Sars-Cov-2 Main Protease. J.Mol.Biol. 68616 2024.
ISSN: ESSN 1089-8638
PubMed: 38762033
DOI: 10.1016/J.JMB.2024.168616
Page generated: Sat Aug 3 01:22:59 2024
ISSN: ESSN 1089-8638
PubMed: 38762033
DOI: 10.1016/J.JMB.2024.168616
Last articles
Zn in 9JYWZn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
