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

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