Zinc in PDB 7cjm: Sars Cov-2 Plpro in Complex with GRL0617

Enzymatic activity of Sars Cov-2 Plpro in Complex with GRL0617

All present enzymatic activity of Sars Cov-2 Plpro in Complex with GRL0617:
3.4.19.12;

Protein crystallography data

The structure of Sars Cov-2 Plpro in Complex with GRL0617, PDB code: 7cjm was solved by Z.Fu, H.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.30 / 3.20
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 112.294, 112.294, 220.379, 90.00, 90.00, 90.00
R / Rfree (%) 26.8 / 28.6

Zinc Binding Sites:

The binding sites of Zinc atom in the Sars Cov-2 Plpro in Complex with GRL0617 (pdb code 7cjm). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Sars Cov-2 Plpro in Complex with GRL0617, PDB code: 7cjm:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 7cjm

Go back to Zinc Binding Sites List in 7cjm
Zinc binding site 1 out of 3 in the Sars Cov-2 Plpro in Complex with GRL0617


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 Plpro in Complex with GRL0617 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:2.1
occ:1.00
CG B:ASP62 3.5 47.1 1.0
OD1 B:ASP62 3.7 47.1 1.0
OD2 B:ASP62 3.7 47.1 1.0
CB B:ASP62 3.9 47.1 1.0
CA B:ASP62 4.6 42.0 1.0
CG2 B:VAL66 4.7 19.7 1.0
CD B:ARG65 4.8 37.4 1.0
O B:ASP62 4.9 39.8 1.0

Zinc binding site 2 out of 3 in 7cjm

Go back to Zinc Binding Sites List in 7cjm
Zinc binding site 2 out of 3 in the Sars Cov-2 Plpro in Complex with GRL0617


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 Plpro in Complex with GRL0617 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn403

b:1.7
occ:1.00
OD2 B:ASP108 2.0 11.9 1.0
ND1 B:HIS89 2.3 20.2 1.0
CG B:ASP108 2.6 12.4 1.0
OD1 B:ASP108 2.6 27.6 1.0
CE1 B:HIS89 3.0 20.4 1.0
CG B:HIS89 3.5 22.0 1.0
CB B:HIS89 3.9 25.1 1.0
CB B:ASP108 4.1 11.9 1.0
NE2 B:HIS89 4.3 16.8 1.0
CD2 B:HIS89 4.5 14.0 1.0
CG1 B:VAL159 4.6 11.4 1.0
CA B:HIS89 4.6 21.4 1.0
NE1 B:TRP93 4.7 18.0 1.0

Zinc binding site 3 out of 3 in 7cjm

Go back to Zinc Binding Sites List in 7cjm
Zinc binding site 3 out of 3 in the Sars Cov-2 Plpro in Complex with GRL0617


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 Plpro in Complex with GRL0617 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn404

b:88.8
occ:1.00
SG B:CYS224 2.3 73.8 1.0
SG B:CYS189 2.3 71.8 1.0
SG B:CYS192 2.3 68.9 1.0
CB B:CYS192 2.8 68.9 1.0
CB B:CYS189 3.2 71.8 1.0
CB B:CYS224 3.2 73.8 1.0
N B:CYS192 3.5 0.6 1.0
SG B:CYS226 3.6 82.6 1.0
CA B:CYS192 3.7 0.1 1.0
OG1 B:THR225 4.2 0.2 1.0
N B:THR225 4.3 1.0 1.0
CA B:CYS224 4.6 1.0 1.0
C B:THR191 4.6 0.0 1.0
N B:CYS226 4.6 0.1 1.0
CA B:CYS189 4.6 0.4 1.0
CB B:THR191 4.7 0.5 1.0
C B:CYS224 4.8 0.8 1.0
CB B:CYS226 4.8 82.6 1.0
N B:THR191 4.9 0.8 1.0
C B:CYS192 4.9 0.1 1.0
CA B:THR191 5.0 0.8 1.0

Reference:

Z.Fu, H.Huang. Sars Cov-2 Plpro in Complex with 6-Thioguanine To Be Published.
Page generated: Wed Dec 16 13:41:15 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy