Zinc in PDB 7rzc: Papain-Like Protease of Sars Cov-2 in Complex with JUN9-84-3 Inhibitor

Enzymatic activity of Papain-Like Protease of Sars Cov-2 in Complex with JUN9-84-3 Inhibitor

All present enzymatic activity of Papain-Like Protease of Sars Cov-2 in Complex with JUN9-84-3 Inhibitor:
3.4.19.12;

Protein crystallography data

The structure of Papain-Like Protease of Sars Cov-2 in Complex with JUN9-84-3 Inhibitor, PDB code: 7rzc 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) 49.31 / 2.04
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 98.515, 113.438, 127.032, 90, 90, 90
R / Rfree (%) 17.8 / 21.2

Other elements in 7rzc:

The structure of Papain-Like Protease of Sars Cov-2 in Complex with JUN9-84-3 Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Papain-Like Protease of Sars Cov-2 in Complex with JUN9-84-3 Inhibitor (pdb code 7rzc). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Papain-Like Protease of Sars Cov-2 in Complex with JUN9-84-3 Inhibitor, PDB code: 7rzc:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 7rzc

Go back to Zinc Binding Sites List in 7rzc
Zinc binding site 1 out of 3 in the Papain-Like Protease of Sars Cov-2 in Complex with JUN9-84-3 Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Papain-Like Protease of Sars Cov-2 in Complex with JUN9-84-3 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn502

b:42.6
occ:1.00
SG A:CYS224 2.3 42.3 1.0
SG A:CYS192 2.3 43.9 1.0
SG A:CYS189 2.3 41.6 1.0
SG A:CYS226 2.4 43.9 1.0
CB A:CYS224 3.1 41.5 1.0
CB A:CYS226 3.3 44.6 1.0
CB A:CYS192 3.3 40.7 1.0
CB A:CYS189 3.3 41.9 1.0
N A:CYS192 3.8 43.0 1.0
N A:CYS226 4.0 42.9 1.0
CA A:CYS192 4.2 41.0 1.0
CA A:CYS226 4.2 44.3 1.0
CB A:THR191 4.2 46.0 1.0
CA A:CYS224 4.5 41.3 1.0
CA A:CYS189 4.8 40.7 1.0
CG2 A:THR191 4.8 47.5 1.0
C A:THR191 4.8 44.0 1.0
C A:CYS224 4.8 45.2 1.0
O A:HOH782 4.8 49.4 1.0
N A:THR225 4.9 43.0 1.0
CA A:THR191 4.9 44.3 1.0
N A:THR191 5.0 42.7 1.0

Zinc binding site 2 out of 3 in 7rzc

Go back to Zinc Binding Sites List in 7rzc
Zinc binding site 2 out of 3 in the Papain-Like Protease of Sars Cov-2 in Complex with JUN9-84-3 Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Papain-Like Protease of Sars Cov-2 in Complex with JUN9-84-3 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn502

b:121.3
occ:1.00
SG B:CYS192 2.3 112.5 1.0
SG B:CYS189 2.3 108.4 1.0
SG B:CYS226 2.4 128.6 1.0
SG B:CYS224 2.4 107.3 1.0
CB B:CYS189 3.2 100.3 1.0
CB B:CYS226 3.3 127.4 1.0
CB B:CYS192 3.4 106.6 1.0
CB B:CYS224 3.6 108.4 1.0
N B:CYS192 3.7 106.5 1.0
CA B:CYS192 4.1 104.1 1.0
CB B:THR191 4.2 115.3 1.0
CA B:CYS226 4.5 127.6 1.0
N B:CYS226 4.5 122.7 1.0
CA B:CYS189 4.6 92.9 1.0
OG1 B:THR191 4.7 114.2 1.0
C B:THR191 4.7 109.4 1.0
CB B:LYS228 4.7 111.9 1.0
CA B:THR191 4.8 111.9 1.0
N B:THR191 4.9 107.9 1.0
CA B:CYS224 4.9 107.6 1.0

Zinc binding site 3 out of 3 in 7rzc

Go back to Zinc Binding Sites List in 7rzc
Zinc binding site 3 out of 3 in the Papain-Like Protease of Sars Cov-2 in Complex with JUN9-84-3 Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Papain-Like Protease of Sars Cov-2 in Complex with JUN9-84-3 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn502

b:109.8
occ:1.00
SG C:CYS224 2.3 118.8 1.0
SG C:CYS192 2.4 114.7 1.0
SG C:CYS189 2.4 99.1 1.0
SG C:CYS226 2.4 103.5 1.0
CB C:CYS224 3.1 117.1 1.0
CB C:CYS189 3.2 93.6 1.0
CB C:CYS226 3.5 113.8 1.0
N C:CYS226 3.5 112.5 1.0
CB C:CYS192 3.5 111.9 1.0
CA C:CYS226 4.1 116.0 1.0
N C:CYS192 4.1 110.7 1.0
N C:THR225 4.2 107.8 1.0
CA C:CYS224 4.3 115.2 1.0
CA C:CYS192 4.4 110.8 1.0
CB C:THR225 4.5 106.2 1.0
C C:CYS224 4.5 112.4 1.0
C C:THR225 4.5 108.8 1.0
CA C:THR225 4.7 106.9 1.0
CA C:CYS189 4.7 89.7 1.0

Reference:

J.Osipiuk, C.Tesar, M.Endres, J.Wang, A.Joachimiak. Papain-Like Protease of Sars Cov-2 in Complex with JUN9-84-3 Inhibitor To Be Published.
Page generated: Fri Sep 24 17:11:42 2021

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