Fluorine in PDB 8v4u: Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor
Enzymatic activity of Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor
All present enzymatic activity of Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor:
3.4.22.69;
3.4.22.69;
Protein crystallography data
The structure of Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor, PDB code: 8v4u
was solved by
S.E.Greasley,
R.A.Ferre,
W.Liu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 112.69 / 1.82 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 45.407, 54.138, 115.15, 90, 101.86, 90 |
| R / Rfree (%) | 21.6 / 26.4 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor
(pdb code 8v4u). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor, PDB code: 8v4u:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor, PDB code: 8v4u:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 8v4u
Go back to
Fluorine Binding Sites List in 8v4u
Fluorine binding site 1 out
of 6 in the Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor
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 Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 8v4u
Go back to
Fluorine Binding Sites List in 8v4u
Fluorine binding site 2 out
of 6 in the Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor
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 Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 8v4u
Go back to
Fluorine Binding Sites List in 8v4u
Fluorine binding site 3 out
of 6 in the Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor
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 Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 8v4u
Go back to
Fluorine Binding Sites List in 8v4u
Fluorine binding site 4 out
of 6 in the Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor
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 Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 8v4u
Go back to
Fluorine Binding Sites List in 8v4u
Fluorine binding site 5 out
of 6 in the Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor
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 Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 8v4u
Go back to
Fluorine Binding Sites List in 8v4u
Fluorine binding site 6 out
of 6 in the Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor
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 Structure of Sars-Cov-2 Main Protease in Complex with A Covalent Inhibitor within 5.0Å range:
|
Reference:
C.M.N.Allerton,
J.T.Arcari,
L.M.Aschenbrenner,
M.Avery,
B.M.Bechle,
M.A.Behzadi,
B.Boras,
L.M.Buzon,
R.D.Cardin,
N.R.Catlin,
A.A.Carlo,
K.J.Coffman,
A.Dantonio,
L.Di,
H.Eng,
K.A.Farley,
R.A.Ferre,
S.S.Gernhardt,
S.A.Gibson,
S.E.Greasley,
S.R.Greenfield,
B.L.Hurst,
A.S.Kalgutkar,
E.Kimoto,
L.F.Lanyon,
G.H.Lovett,
Y.Lian,
W.Liu,
L.A.Martinez Alsina,
S.Noell,
R.S.Obach,
D.R.Owen,
N.C.Patel,
D.K.Rai,
M.R.Reese,
H.A.Rothan,
S.Sakata,
M.F.Sammons,
J.G.Sathish,
R.Sharma,
C.M.Steppan,
J.B.Tuttle,
P.R.Verhoest,
L.Wei,
Q.Yang,
I.Yurgelonis,
Y.Zhu.
A Second-Generation Oral Sars-Cov-2 Main Protease Inhibitor Clinical Candidate For the Treatment of Covid-19. J.Med.Chem. 2024.
ISSN: ISSN 0022-2623
PubMed: 38687966
DOI: 10.1021/ACS.JMEDCHEM.3C02469
Page generated: Sat Aug 3 01:18:01 2024
ISSN: ISSN 0022-2623
PubMed: 38687966
DOI: 10.1021/ACS.JMEDCHEM.3C02469
Last articles
Mg in 4Y52Mg in 4Y30
Mg in 4Y2V
Mg in 4Y2X
Mg in 4Y2Y
Mg in 4Y2U
Mg in 4Y2T
Mg in 4Y2Q
Mg in 4Y2R
Mg in 4Y2S
