Atomistry » Sodium » PDB 8cwf-8d7c » 8cx9
Atomistry »
  Sodium »
    PDB 8cwf-8d7c »
      8cx9 »

Sodium in PDB 8cx9: Structure of the Sars-COV2 Plpro (C111S) in Complex with A Dimeric Ubv That Inhibits Activity By An Unusual Allosteric Mechanism

Enzymatic activity of Structure of the Sars-COV2 Plpro (C111S) in Complex with A Dimeric Ubv That Inhibits Activity By An Unusual Allosteric Mechanism

All present enzymatic activity of Structure of the Sars-COV2 Plpro (C111S) in Complex with A Dimeric Ubv That Inhibits Activity By An Unusual Allosteric Mechanism:
3.4.19.12;

Protein crystallography data

The structure of Structure of the Sars-COV2 Plpro (C111S) in Complex with A Dimeric Ubv That Inhibits Activity By An Unusual Allosteric Mechanism, PDB code: 8cx9 was solved by A.U.Singer, C.L.Slater, A.Patel, R.Russel, B.L.Mark, S.S.Sidhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.79 / 3.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.58, 174.86, 121.56, 90, 95.74, 90
R / Rfree (%) 22.5 / 27

Other elements in 8cx9:

The structure of Structure of the Sars-COV2 Plpro (C111S) in Complex with A Dimeric Ubv That Inhibits Activity By An Unusual Allosteric Mechanism also contains other interesting chemical elements:

Bromine (Br) 6 atoms
Chlorine (Cl) 1 atom
Zinc (Zn) 4 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Structure of the Sars-COV2 Plpro (C111S) in Complex with A Dimeric Ubv That Inhibits Activity By An Unusual Allosteric Mechanism (pdb code 8cx9). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Structure of the Sars-COV2 Plpro (C111S) in Complex with A Dimeric Ubv That Inhibits Activity By An Unusual Allosteric Mechanism, PDB code: 8cx9:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 8cx9

Go back to Sodium Binding Sites List in 8cx9
Sodium binding site 1 out of 2 in the Structure of the Sars-COV2 Plpro (C111S) in Complex with A Dimeric Ubv That Inhibits Activity By An Unusual Allosteric Mechanism


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of the Sars-COV2 Plpro (C111S) in Complex with A Dimeric Ubv That Inhibits Activity By An Unusual Allosteric Mechanism within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na404

b:26.0
occ:1.00
OD2 A:ASP164 2.9 52.8 1.0
CE2 A:TYR264 3.6 68.4 1.0
CD2 A:TYR264 3.6 59.3 1.0
CG A:ASP164 3.7 53.6 1.0
OD1 A:ASP164 3.9 61.3 1.0
OH A:TYR273 4.2 54.4 1.0
CD A:PRO248 4.8 47.7 1.0
CZ A:TYR264 4.9 70.0 1.0
CG A:TYR264 4.9 55.5 1.0
CB A:ASP164 5.0 47.6 1.0

Sodium binding site 2 out of 2 in 8cx9

Go back to Sodium Binding Sites List in 8cx9
Sodium binding site 2 out of 2 in the Structure of the Sars-COV2 Plpro (C111S) in Complex with A Dimeric Ubv That Inhibits Activity By An Unusual Allosteric Mechanism


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Structure of the Sars-COV2 Plpro (C111S) in Complex with A Dimeric Ubv That Inhibits Activity By An Unusual Allosteric Mechanism within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Na402

b:36.6
occ:1.00
CE2 C:TYR264 2.9 67.8 1.0
OD1 C:ASP164 3.1 58.3 1.0
CD2 C:TYR264 3.2 68.5 1.0
OD2 C:ASP164 3.3 59.9 1.0
CG C:ASP164 3.6 53.6 1.0
CZ C:TYR264 4.1 65.7 1.0
OH C:TYR273 4.5 52.9 1.0
OH C:TYR264 4.5 63.5 1.0
CG C:TYR264 4.6 62.1 1.0
CG C:PRO248 4.9 64.3 1.0
CB C:ASP164 5.0 48.4 1.0

Reference:

V.J.E.Van Vliet, N.Huynh, J.Pala, A.Patel, A.Singer, C.Slater, J.Chung, M.Van Huizen, J.Teyra, S.Miersch, G.K.Luu, W.Ye, N.Sharma, S.S.Ganaie, R.Russell, C.Chen, M.Maynard, G.K.Amarasinghe, B.L.Mark, M.Kikkert, S.S.Sidhu. Ubiquitin Variants Potently Inhibit Sars-Cov-2 Plpro and Viral Replication Via A Novel Site Distal to the Protease Active Site. Plos Pathog. V. 18 11065 2022.
ISSN: ESSN 1553-7374
PubMed: 36548304
DOI: 10.1371/JOURNAL.PPAT.1011065
Page generated: Wed Oct 9 11:19:37 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy