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Chlorine in PDB 7tiv: Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor EB48
Enzymatic activity of Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor EB48
All present enzymatic activity of Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor EB48:
3.4.22.69;
3.4.22.69;
Protein crystallography data
The structure of Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor EB48, PDB code: 7tiv
was solved by
F.Forouhar,
H.Liu,
S.Iketani,
A.Zack,
N.Khanizeman,
E.Bednarova,
B.Fowler,
S.J.Hong,
H.Mohri,
M.S.Nair,
Y.Huang,
N.E.S.Tay,
S.Lee,
C.Karan,
S.J.Resnick,
C.Quinn,
W.Li,
H.Shion,
C.Jurtschenko,
M.A.Lauber,
T.Mcdonald,
M.E.Stokes,
B.Hurst,
T.Rovis,
A.Chavez,
D.D.Ho,
B.R.Stockwell,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 48.90 / 2.08 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 96.394, 81.46, 54.639, 90, 116.5, 90 |
| R / Rfree (%) | 17.6 / 21.6 |
Other elements in 7tiv:
The structure of Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor EB48 also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor EB48
(pdb code 7tiv). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor EB48, PDB code: 7tiv:
In total only one binding site of Chlorine was determined in the Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor EB48, PDB code: 7tiv:
Chlorine binding site 1 out of 1 in 7tiv
Go back to
Chlorine Binding Sites List in 7tiv
Chlorine binding site 1 out
of 1 in the Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor EB48
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Sars-Cov-2 3CL in Complex with Inhibitor EB48 within 5.0Å range:
|
Reference:
H.Liu,
S.Iketani,
A.Zask,
N.Khanizeman,
E.Bednarova,
F.Forouhar,
B.Fowler,
S.J.Hong,
H.Mohri,
M.S.Nair,
Y.Huang,
N.E.S.Tay,
S.Lee,
C.Karan,
S.J.Resnick,
C.Quinn,
W.Li,
H.Shion,
X.Xia,
J.D.Daniels,
M.Bartolo-Cruz,
M.Farina,
P.Rajbhandari,
C.Jurtschenko,
M.A.Lauber,
T.Mcdonald,
M.E.Stokes,
B.L.Hurst,
T.Rovis,
A.Chavez,
D.D.Ho,
B.R.Stockwell.
Development of Optimized Drug-Like Small Molecule Inhibitors of the Sars-Cov-2 3CL Protease For Treatment of Covid-19. Nat Commun V. 13 1891 2022.
ISSN: ESSN 2041-1723
PubMed: 35393402
DOI: 10.1038/S41467-022-29413-2
Page generated: Sun Jul 13 07:28:59 2025
ISSN: ESSN 2041-1723
PubMed: 35393402
DOI: 10.1038/S41467-022-29413-2
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