Chlorine in PDB 7ng6: Crystal Structure of Mg-132 Covalently Bound to the Main Protease (3CLPRO/Mpro) of Sars-Cov-2 in Spacegroup P1 in Absence of Dtt.

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

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 in Absence of Dtt.:
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 in Absence of Dtt., PDB code: 7ng6 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) 49.57 / 1.87
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 47.076, 54.667, 59.325, 114.36, 99.82, 90.88
R / Rfree (%) 16.2 / 20.8

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 in Absence of Dtt. (pdb code 7ng6). 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 in Absence of Dtt., PDB code: 7ng6:

Chlorine binding site 1 out of 1 in 7ng6

Go back to Chlorine Binding Sites List in 7ng6
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 in Absence of Dtt.


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 in Absence of Dtt. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl703

b:40.8
occ:1.00
 H B:ALA285 2.3 32.3 1.0
H A:ALA285 2.4 26.6 1.0
O A:HOH862 2.8 36.3 1.0
O B:HOH516 3.1 41.6 1.0
N B:ALA285 3.1 27.1 1.0
OG A:SER284 3.2 31.3 1.0
HB3 B:ALA285 3.2 34.8 1.0
N A:ALA285 3.2 22.1 1.0
H A:LEU286 3.2 30.4 1.0
HG A:LEU286 3.3 35.3 1.0
H B:LEU286 3.3 32.2 1.0
HA B:SER284 3.3 31.0 1.0
HB3 A:ALA285 3.3 36.4 1.0
HA A:SER284 3.3 28.6 1.0
OG B:SER284 3.5 32.1 1.0
HG B:LEU286 3.5 29.8 1.0
HG A:SER284 3.7 37.7 1.0
N A:LEU286 3.7 25.3 1.0
HB2 A:LEU286 3.8 29.9 1.0
HD12 A:LEU286 3.8 37.2 1.0
N B:LEU286 3.8 26.8 1.0
CA B:ALA285 3.9 27.8 1.0
CA A:ALA285 3.9 24.8 1.0
CB B:ALA285 3.9 29.3 1.0
HG B:SER284 3.9 38.6 1.0
CA A:SER284 4.0 23.8 1.0
CA B:SER284 4.0 26.1 1.0
CG A:LEU286 4.0 29.4 1.0
C B:SER284 4.0 30.2 1.0
HB2 B:LEU286 4.0 34.2 1.0
C A:SER284 4.0 24.5 1.0
CB A:ALA285 4.1 30.2 1.0
C A:ALA285 4.1 27.3 1.0
CB A:SER284 4.1 24.8 1.0
C B:ALA285 4.2 29.1 1.0
CB B:SER284 4.3 27.5 1.0
HD12 B:LEU286 4.3 34.3 1.0
CB A:LEU286 4.3 24.9 1.0
CD1 A:LEU286 4.3 31.0 1.0
CG B:LEU286 4.3 25.1 1.0
HB2 B:ALA285 4.4 34.8 1.0
HB2 A:SER284 4.4 29.8 1.0
HD11 A:LEU286 4.5 37.2 1.0
OE2 A:GLU288 4.5 36.1 1.0
CB B:LEU286 4.5 28.4 1.0
HB2 B:SER284 4.5 33.1 1.0
HB2 A:ALA285 4.6 36.4 1.0
CA A:LEU286 4.6 26.9 1.0
HB1 B:ALA285 4.6 34.8 1.0
HB1 A:ALA285 4.7 36.4 1.0
CD1 B:LEU286 4.8 28.6 1.0
OE2 B:GLU288 4.8 45.2 1.0
CA B:LEU286 4.8 24.5 1.0
HA B:ALA285 4.8 33.1 1.0
HA A:ALA285 4.8 29.8 1.0
HB3 A:SER284 4.9 29.8 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 in Absence of Dtt. To Be Published.
Page generated: Sat Apr 17 15:15:04 2021

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