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Sodium in PDB 7nf5: Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup C2.

Enzymatic activity of Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup C2.

All present enzymatic activity of Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup C2.:
2.7.7.48; 3.4.19.12; 3.4.22.69; 3.6.4.12; 3.6.4.13;

Protein crystallography data

The structure of Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup C2., PDB code: 7nf5 was solved by E.Costanzi, N.Demitri, B.Giabbai, P.Storici, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.06 / 1.94
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 110.017, 55.078, 47.525, 90, 101.23, 90
R / Rfree (%) 18.2 / 22.5

Other elements in 7nf5:

The structure of Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup C2. also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup C2. (pdb code 7nf5). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup C2., PDB code: 7nf5:

Sodium binding site 1 out of 1 in 7nf5

Go back to Sodium Binding Sites List in 7nf5
Sodium binding site 1 out of 1 in the Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup C2.


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 Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup C2. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na411

b:49.9
occ:1.00
OD1 A:ASP229 2.2 42.1 1.0
OD1 A:ASN228 2.5 40.5 1.0
HB3 A:ASN228 2.7 44.7 1.0
O A:HOH553 2.8 33.7 1.0
CG A:ASN228 3.2 42.4 1.0
CG A:ASP229 3.4 45.3 1.0
CB A:ASN228 3.4 37.3 1.0
HA A:ASP229 3.5 40.3 1.0
N A:ASP229 3.6 34.4 1.0
H A:ASP229 3.7 41.3 1.0
HG1 A:THR226 3.8 42.9 1.0
C A:ASN228 3.8 35.3 1.0
HD12 A:LEU232 3.9 59.4 1.0
CA A:ASP229 3.9 33.6 1.0
HD11 A:LEU232 4.1 59.4 1.0
HB2 A:ASN228 4.1 44.7 1.0
OD2 A:ASP229 4.2 47.6 1.0
CB A:ASP229 4.2 35.0 1.0
OG1 A:THR226 4.2 35.8 1.0
CA A:ASN228 4.2 36.8 1.0
O A:ASN228 4.3 33.6 1.0
HG A:LEU232 4.4 47.0 1.0
CD1 A:LEU232 4.5 49.5 1.0
ND2 A:ASN228 4.5 44.6 1.0
HB2 A:ASP229 4.6 42.0 1.0
HD21 A:ASN228 4.8 53.5 1.0
H A:ASN228 4.9 38.9 1.0
HA A:ASN228 4.9 44.1 1.0
HB3 A:ASP229 5.0 42.0 1.0

Reference:

E.Costanzi, N.Demitri, B.Giabbai, P.Storici. Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup C2. To Be Published.
Page generated: Tue Oct 8 18:09:33 2024

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