Chlorine in PDB 7sdr: Papain-Like Protease of Sars Cov-2 in Complex with JUN9-72-2 Inhibitor

Enzymatic activity of Papain-Like Protease of Sars Cov-2 in Complex with JUN9-72-2 Inhibitor

All present enzymatic activity of Papain-Like Protease of Sars Cov-2 in Complex with JUN9-72-2 Inhibitor:
3.4.19.12; 3.4.22.69;

Protein crystallography data

The structure of Papain-Like Protease of Sars Cov-2 in Complex with JUN9-72-2 Inhibitor, PDB code: 7sdr was solved by J.Osipiuk, C.Tesar, M.Endres, J.Wang, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.49 / 2.72
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 99.074, 112.605, 127.677, 90, 90, 90
R / Rfree (%) 17.3 / 21.2

Other elements in 7sdr:

The structure of Papain-Like Protease of Sars Cov-2 in Complex with JUN9-72-2 Inhibitor also contains other interesting chemical elements:

Zinc (Zn) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Papain-Like Protease of Sars Cov-2 in Complex with JUN9-72-2 Inhibitor (pdb code 7sdr). 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 Papain-Like Protease of Sars Cov-2 in Complex with JUN9-72-2 Inhibitor, PDB code: 7sdr:

Chlorine binding site 1 out of 1 in 7sdr

Go back to Chlorine Binding Sites List in 7sdr
Chlorine binding site 1 out of 1 in the Papain-Like Protease of Sars Cov-2 in Complex with JUN9-72-2 Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Papain-Like Protease of Sars Cov-2 in Complex with JUN9-72-2 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:90.2
occ:1.00
 N B:PHE127 3.4 52.1 1.0
CG B:GLN133 3.5 67.4 1.0
CA B:GLN133 3.7 53.1 1.0
CD2 B:PHE127 4.0 48.3 1.0
CB B:PHE127 4.0 48.4 1.0
CB B:GLN133 4.0 61.0 1.0
CE1 B:TYR137 4.0 79.0 0.7
CD B:LYS126 4.1 87.4 1.0
CE B:LYS126 4.2 91.0 1.0
CA B:LYS126 4.2 59.3 1.0
CA B:PHE127 4.2 49.9 1.0
C B:LYS126 4.2 54.1 1.0
O B:GLN133 4.3 51.1 1.0
O B:PHE127 4.4 47.9 1.0
CZ B:TYR137 4.4 81.6 0.7
OH B:TYR137 4.4 84.9 0.7
CG B:PHE127 4.5 47.8 1.0
C B:GLN133 4.5 50.8 1.0
CD2 B:TYR136 4.6 75.0 1.0
N B:GLN133 4.6 48.8 1.0
O B:LEU125 4.7 55.2 1.0
CD1 B:TYR137 4.7 77.3 0.7
C B:PHE127 4.8 49.0 1.0
CD B:GLN133 4.9 74.0 1.0
CB B:TYR136 4.9 58.1 1.0

Reference:

J.Osipiuk, C.Tesar, M.Endres, J.Wang, A.Joachimiak. Papain-Like Protease of Sars Cov-2 in Complex with JUN9-72-2 Inhibitor To Be Published.
Page generated: Fri Nov 5 12:43:29 2021

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