Chlorine in PDB 7ng3: Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup P1.

Enzymatic activity of Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup P1.

All present enzymatic activity of Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup P1.:
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 P1., PDB code: 7ng3 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) 49.71 / 1.80
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 47.282, 54.918, 59.503, 114.65, 99.96, 90.54
R / Rfree (%) 17.9 / 21.5

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 P1. (pdb code 7ng3). 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 Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup P1., PDB code: 7ng3:

Chlorine binding site 1 out of 1 in 7ng3

Go back to Chlorine Binding Sites List in 7ng3
Chlorine 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 P1.


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 P1. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:31.6
occ:1.00
 H B:ALA285 2.5 29.8 1.0
H A:ALA285 2.5 31.8 1.0
H B:LEU286 3.0 30.1 1.0
HB3 B:ALA285 3.1 32.0 1.0
HB3 A:ALA285 3.2 36.0 1.0
H A:LEU286 3.2 34.2 1.0
HG B:LEU286 3.2 28.9 1.0
N B:ALA285 3.3 24.8 1.0
N A:ALA285 3.3 26.4 1.0
HG A:LEU286 3.3 35.8 1.0
HA B:SER284 3.4 30.5 1.0
HA A:SER284 3.5 30.5 1.0
OG A:SER284 3.6 31.5 1.0
OG B:SER284 3.6 33.1 1.0
N B:LEU286 3.7 25.1 1.0
N A:LEU286 3.7 28.5 1.0
HB2 A:LEU286 3.8 33.4 1.0
HB2 B:LEU286 3.8 28.0 1.0
CB B:ALA285 3.9 26.7 1.0
CA B:ALA285 3.9 26.4 1.0
CB A:ALA285 4.0 30.0 1.0
CA A:ALA285 4.0 27.3 1.0
HD12 A:LEU286 4.0 41.2 1.0
HD12 B:LEU286 4.0 37.5 1.0
HG A:SER284 4.0 37.9 1.0
CG B:LEU286 4.0 24.1 1.0
HG B:SER284 4.1 39.8 1.0
CA B:SER284 4.1 25.3 1.0
CG A:LEU286 4.1 29.8 1.0
CA A:SER284 4.2 25.4 1.0
C B:SER284 4.2 26.4 1.0
C B:ALA285 4.2 27.5 1.0
C A:SER284 4.2 24.4 1.0
C A:ALA285 4.2 29.4 1.0
CB B:LEU286 4.3 23.3 1.0
HB2 B:ALA285 4.3 32.0 1.0
CB A:LEU286 4.4 27.8 1.0
CB B:SER284 4.4 27.3 1.0
CB A:SER284 4.4 25.4 1.0
HB2 A:ALA285 4.4 36.0 1.0
CD1 A:LEU286 4.5 34.3 1.0
CD1 B:LEU286 4.5 31.2 1.0
HB1 B:ALA285 4.6 32.0 1.0
CA B:LEU286 4.6 27.5 1.0
HD11 A:LEU286 4.6 41.2 1.0
HB2 B:SER284 4.6 32.8 1.0
CA A:LEU286 4.7 24.1 1.0
HB1 A:ALA285 4.7 36.0 1.0
HB2 A:SER284 4.7 30.5 1.0
HD11 B:LEU286 4.7 37.5 1.0
HA B:ALA285 4.9 31.7 1.0
HA A:ALA285 4.9 32.9 1.0
OE2 A:GLU288 4.9 44.7 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 P1. To Be Published.
Page generated: Tue Jul 30 00:52:43 2024

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