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: Tue Jul 30 00:52:23 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy