Chlorine in PDB 6wtt: Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376

Enzymatic activity of Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376

All present enzymatic activity of Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376:
3.4.22.69;

Protein crystallography data

The structure of Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376, PDB code: 6wtt was solved by M.Sacco, C.Ma, Y.Chen, J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.56 / 2.15
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 101.824, 101.824, 160.012, 90.00, 90.00, 120.00
R / Rfree (%) 21.5 / 30

Other elements in 6wtt:

The structure of Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376 also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376 (pdb code 6wtt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376, PDB code: 6wtt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6wtt

Go back to Chlorine Binding Sites List in 6wtt
Chlorine binding site 1 out of 5 in the Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:97.6
occ:1.00
 CD1 A:PHE8 4.0 51.6 1.0
CD A:PRO9 4.1 54.6 1.0
CG2 A:ILE152 4.2 60.9 1.0
CB A:ILE152 4.4 61.1 1.0
CE1 A:PHE8 4.4 52.8 1.0
CG A:PRO9 4.5 58.4 1.0
O A:TYR154 5.0 1.0 1.0
O A:ILE152 5.0 73.8 1.0

Chlorine binding site 2 out of 5 in 6wtt

Go back to Chlorine Binding Sites List in 6wtt
Chlorine binding site 2 out of 5 in the Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:90.4
occ:1.00
 N A:GLN127 3.2 54.6 1.0
CA A:TYR126 3.5 54.8 1.0
CB A:TYR126 3.8 57.1 1.0
O A:LYS5 3.8 65.9 1.0
C A:TYR126 3.8 57.1 1.0
CB A:GLN127 3.9 59.8 1.0
CB A:LYS5 4.1 57.4 1.0
CA A:GLN127 4.2 56.3 1.0
CG A:LYS5 4.2 64.4 1.0
C A:LYS5 4.2 56.4 1.0
N A:ALA7 4.5 48.9 1.0
CB A:ALA7 4.7 49.0 1.0
N A:MET6 4.7 53.9 1.0
O A:VAL125 4.7 55.2 1.0
O A:GLN127 4.7 57.8 1.0
N A:TYR126 4.7 54.6 1.0
CA A:LYS5 4.9 56.8 1.0
C A:MET6 4.9 58.4 1.0
CA A:MET6 4.9 58.4 1.0

Chlorine binding site 3 out of 5 in 6wtt

Go back to Chlorine Binding Sites List in 6wtt
Chlorine binding site 3 out of 5 in the Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:87.3
occ:1.00
 N A:PHE103 3.5 62.9 1.0
CA A:LYS102 4.1 68.3 1.0
CG A:PHE103 4.2 62.7 1.0
CB A:PHE103 4.2 62.1 1.0
C A:LYS102 4.2 69.8 1.0
CD2 A:PHE103 4.4 60.2 1.0
CA A:PHE103 4.5 57.0 1.0
CE1 A:TYR101 4.6 72.5 1.0
CD1 A:PHE103 4.6 62.3 1.0
O A:TYR101 4.8 79.2 1.0
O A:PHE103 4.9 65.5 1.0
CD1 A:TYR101 4.9 72.8 1.0
CB A:LYS102 4.9 78.8 1.0

Chlorine binding site 4 out of 5 in 6wtt

Go back to Chlorine Binding Sites List in 6wtt
Chlorine binding site 4 out of 5 in the Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:93.2
occ:1.00
 CG B:LEU67 3.3 80.7 1.0
CD1 B:LEU67 3.5 88.9 1.0
CD2 B:LEU67 3.7 80.7 1.0
O B:ASN65 3.9 78.5 1.0
N B:GLY23 4.3 79.0 1.0
O B:HOH534 4.5 79.7 1.0
C B:ASN65 4.5 73.4 1.0
O B:THR21 4.5 77.0 1.0
CB B:LEU67 4.6 71.9 1.0
O B:GLY23 4.6 74.4 1.0
N B:LEU67 4.7 70.9 1.0
O B:HIS64 4.7 62.3 1.0
CA B:GLY23 4.8 71.8 1.0
CG2 B:THR21 4.8 65.8 1.0
CA B:CYS22 4.9 70.2 1.0
C B:THR21 4.9 75.3 1.0

Chlorine binding site 5 out of 5 in 6wtt

Go back to Chlorine Binding Sites List in 6wtt
Chlorine binding site 5 out of 5 in the Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:89.3
occ:1.00
 CG C:PRO184 3.8 55.4 1.0
CB C:PRO184 4.0 50.7 1.0
O C:ALA193 4.2 65.5 1.0
O C:PRO184 4.5 57.4 1.0

Reference:

C.Ma, M.Sacco, B.Hurst, Y.Hu, T.Szeto, X.Zhang, B.Tarbet, Y.Chen, J.Wang. Crystals Structure of the Sars-Cov-2 (Covid-19) Main Protease with Inhibitor Gc-376 To Be Published.
Page generated: Sat Dec 12 14:31:29 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy