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Chlorine 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:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where 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:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7nf5

Go back to Chlorine Binding Sites List in 7nf5
Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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:Cl409

b:30.6
occ:0.50
H A:ALA285 2.6 33.2 1.0
HB3 A:ALA285 3.1 38.0 1.0
H A:LEU286 3.2 36.6 1.0
N A:ALA285 3.3 27.7 1.0
HG A:LEU286 3.4 45.0 1.0
HA A:SER284 3.7 32.0 1.0
OG A:SER284 3.7 34.1 1.0
N A:LEU286 3.8 30.5 1.0
HG A:SER284 3.9 41.0 1.0
HD12 A:LEU286 3.9 43.6 1.0
CB A:ALA285 3.9 31.7 1.0
HB2 A:LEU286 3.9 39.0 1.0
CA A:ALA285 4.0 28.3 1.0
CG A:LEU286 4.1 37.5 1.0
C A:ALA285 4.2 31.9 1.0
HB2 A:ALA285 4.3 38.0 1.0
C A:SER284 4.3 28.4 1.0
CA A:SER284 4.3 26.6 1.0
CB A:LEU286 4.4 32.5 1.0
CD1 A:LEU286 4.4 36.4 1.0
CB A:SER284 4.6 27.4 1.0
HB1 A:ALA285 4.6 38.0 1.0
CA A:LEU286 4.7 31.1 1.0
HD11 A:LEU286 4.7 43.6 1.0
HA A:ALA285 4.9 33.9 1.0

Chlorine binding site 2 out of 2 in 7nf5

Go back to Chlorine Binding Sites List in 7nf5
Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl binding site number 2 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:Cl410

b:45.5
occ:1.00
H A:LEU227 2.5 41.7 1.0
HD11 A:LEU262 3.2 42.0 1.0
HB2 A:LEU227 3.4 43.5 1.0
HB3 A:LEU227 3.4 43.5 1.0
N A:LEU227 3.4 34.8 1.0
HB A:THR226 3.5 47.0 1.0
HA A:THR226 3.6 44.1 1.0
HD13 A:LEU262 3.6 42.0 1.0
CB A:LEU227 3.8 36.2 1.0
CD1 A:LEU262 3.8 35.0 1.0
CA A:THR226 4.2 36.7 1.0
CA A:LEU227 4.2 32.6 1.0
CB A:THR226 4.3 39.2 1.0
HD12 A:LEU262 4.3 42.0 1.0
C A:THR226 4.3 36.0 1.0
HD21 A:LEU262 4.3 37.4 1.0
H A:ASN228 4.5 38.9 1.0
HA A:LEU227 4.8 39.2 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: Sun Jul 13 04:25:25 2025

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