Zinc in PDB 8uvm: Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313

Enzymatic activity of Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313

All present enzymatic activity of Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313:
3.4.19.12;

Protein crystallography data

The structure of Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313, PDB code: 8uvm was solved by A.Ansari, B.Tan, A.Chopra, F.X.Ruiz, E.Arnold, J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.90 / 2.85
Space group P 3 2 1
Cell size a, b, c (Å), α, β, γ (°) 190.997, 190.997, 112.926, 90, 90, 120
R / Rfree (%) 17.8 / 20.4

Other elements in 8uvm:

The structure of Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313 also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313 (pdb code 8uvm). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313, PDB code: 8uvm:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 8uvm

Go back to Zinc Binding Sites List in 8uvm
Zinc binding site 1 out of 4 in the Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn404

b:125.4
occ:1.00
 SG A:CYS192 2.3 135.0 1.0
SG A:CYS226 2.3 116.2 1.0
SG A:CYS189 2.3 117.5 1.0
SG A:CYS224 2.3 123.9 1.0
CB A:CYS189 3.2 114.8 1.0
CB A:CYS224 3.6 112.5 1.0
CB A:CYS192 3.6 123.4 1.0
CB A:CYS226 3.9 109.0 1.0
N A:CYS192 3.9 127.2 1.0
CA A:CYS192 4.4 126.3 1.0
N A:CYS226 4.4 107.3 1.0
CA A:CYS189 4.6 117.2 1.0
CB A:THR191 4.6 125.5 1.0
CA A:CYS226 4.7 111.0 1.0
CB A:LYS228 4.8 100.5 1.0
CA A:CYS224 4.9 109.8 1.0
N A:THR225 5.0 106.4 1.0
C A:THR191 5.0 130.2 1.0

Zinc binding site 2 out of 4 in 8uvm

Go back to Zinc Binding Sites List in 8uvm
Zinc binding site 2 out of 4 in the Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn404

b:83.1
occ:1.00
 SG B:CYS226 2.3 71.0 1.0
SG B:CYS192 2.3 68.8 1.0
SG B:CYS189 2.3 75.7 1.0
SG B:CYS224 2.3 75.8 1.0
CB B:CYS224 3.4 68.9 1.0
CB B:CYS226 3.4 70.3 1.0
CB B:CYS189 3.5 74.3 1.0
CB B:CYS192 3.5 68.5 1.0
N B:CYS192 3.9 66.7 1.0
N B:CYS226 4.1 66.8 1.0
CA B:CYS192 4.3 58.4 1.0
CA B:CYS226 4.4 67.8 1.0
CB B:THR191 4.4 59.5 1.0
CA B:CYS224 4.7 71.1 1.0
N B:THR225 4.7 67.5 1.0
C B:THR191 4.9 71.8 1.0
CA B:CYS189 4.9 66.9 1.0
N B:THR191 4.9 66.4 1.0
C B:CYS224 4.9 65.9 1.0
CA B:THR191 5.0 69.3 1.0
OG1 B:THR225 5.0 65.8 1.0

Zinc binding site 3 out of 4 in 8uvm

Go back to Zinc Binding Sites List in 8uvm
Zinc binding site 3 out of 4 in the Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn404

b:119.4
occ:1.00
 SG C:CYS189 2.3 107.0 1.0
SG C:CYS226 2.3 119.4 1.0
SG C:CYS224 2.3 118.9 1.0
CB C:CYS224 3.4 103.4 1.0
CB C:CYS226 3.4 113.2 1.0
CB C:CYS189 3.4 109.7 1.0
SG C:CYS192 3.5 109.8 1.0
OG1 C:THR191 3.9 121.8 1.0
CB C:CYS192 3.9 106.0 1.0
N C:CYS226 4.0 118.3 1.0
O C:HOH514 4.2 93.1 1.0
CA C:CYS226 4.3 105.8 1.0
N C:CYS192 4.4 110.7 1.0
N C:THR225 4.6 110.0 1.0
OG1 C:THR225 4.7 112.2 1.0
CA C:CYS224 4.7 106.5 1.0
CA C:CYS189 4.8 110.1 1.0
CA C:CYS192 4.8 106.7 1.0
C C:CYS224 4.9 113.8 1.0

Zinc binding site 4 out of 4 in 8uvm

Go back to Zinc Binding Sites List in 8uvm
Zinc binding site 4 out of 4 in the Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Sars-Cov-2 Papain-Like Protease (Plpro) Complex with Covalent Inhibitor JUN11313 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn405

b:143.8
occ:1.00
 O D:HOH518 2.0 111.2 1.0
SG D:CYS192 2.3 97.8 1.0
SG D:CYS226 2.3 133.6 1.0
SG D:CYS224 2.4 120.2 1.0
SG D:CYS189 2.4 121.4 1.0
CB D:CYS224 3.1 107.0 1.0
CB D:CYS189 3.7 100.7 1.0
CB D:CYS192 3.9 96.7 1.0
CB D:CYS226 4.0 112.7 1.0
N D:CYS226 4.3 107.8 1.0
OG1 D:THR191 4.3 111.0 1.0
CA D:CYS224 4.5 105.8 1.0
N D:THR225 4.5 110.7 1.0
CA D:CYS226 4.7 112.8 1.0
C D:CYS224 4.8 98.5 1.0

Reference:

B.Tan, X.Zhang, A.Ansari, P.Jadhav, H.Tan, K.Li, A.Chopra, A.Ford, X.Chi, F.X.Ruiz, E.Arnold, X.Deng, J.Wang. Design of A Sars-Cov-2 Papain-Like Protease Inhibitor with Antiviral Efficacy in A Mouse Model Science V. 383 1434 2024.
ISSN: ESSN 1095-9203
DOI: 10.1126/SCIENCE.ADM9724
Page generated: Thu Oct 31 12:32:48 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy