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Sodium in PDB 8p86: Crystal Structure of the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 Obtained in Presence of 5 Mm Mg-132, From An "Old" Crystal.
Enzymatic activity of Crystal Structure of the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 Obtained in Presence of 5 Mm Mg-132, From An "Old" Crystal.
All present enzymatic activity of Crystal Structure of the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 Obtained in Presence of 5 Mm Mg-132, From An "Old" Crystal.:
3.4.22.69;
3.4.22.69;
Protein crystallography data
The structure of Crystal Structure of the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 Obtained in Presence of 5 Mm Mg-132, From An "Old" Crystal., PDB code: 8p86
was solved by
E.Costanzi,
N.Demitri,
P.Storici,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 49.39 / 1.85 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 68.366, 99.351, 102.801, 90, 90, 90 |
| R / Rfree (%) | 17.3 / 19.7 |
Other elements in 8p86:
The structure of Crystal Structure of the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 Obtained in Presence of 5 Mm Mg-132, From An "Old" Crystal. also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 Obtained in Presence of 5 Mm Mg-132, From An "Old" Crystal.
(pdb code 8p86). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 Obtained in Presence of 5 Mm Mg-132, From An "Old" Crystal., PDB code: 8p86:
Jump to Sodium binding site number: 1; 2;
In total 2 binding sites of Sodium where determined in the Crystal Structure of the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 Obtained in Presence of 5 Mm Mg-132, From An "Old" Crystal., PDB code: 8p86:
Jump to Sodium binding site number: 1; 2;
Sodium binding site 1 out of 2 in 8p86
Go back to
Sodium Binding Sites List in 8p86
Sodium binding site 1 out
of 2 in the Crystal Structure of the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 Obtained in Presence of 5 Mm Mg-132, From An "Old" Crystal.
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Crystal Structure of the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 Obtained in Presence of 5 Mm Mg-132, From An "Old" Crystal. within 5.0Å range:
|
Sodium binding site 2 out of 2 in 8p86
Go back to
Sodium Binding Sites List in 8p86
Sodium binding site 2 out
of 2 in the Crystal Structure of the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 Obtained in Presence of 5 Mm Mg-132, From An "Old" Crystal.
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Crystal Structure of the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 Obtained in Presence of 5 Mm Mg-132, From An "Old" Crystal. within 5.0Å range:
|
Reference:
S.Albani,
E.Costanzi,
G.L.Hoang,
M.Kuzikov,
M.Frings,
N.Ansari,
N.Demitri,
T.T.Nguyen,
V.Rizzi,
J.B.Schulz,
C.Bolm,
A.Zaliani,
P.Carloni,
P.Storici,
G.Rossetti.
Unexpected Single-Ligand Occupancy and Negative Cooperativity in the Sars-Cov-2 Main Protease. J.Chem.Inf.Model. V. 64 892 2024.
ISSN: ESSN 1549-960X
PubMed: 38051605
DOI: 10.1021/ACS.JCIM.3C01497
Page generated: Wed Oct 9 12:54:30 2024
ISSN: ESSN 1549-960X
PubMed: 38051605
DOI: 10.1021/ACS.JCIM.3C01497
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