Chlorine 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:

Sodium (Na) 2 atoms
Bromine (Br) 6 atoms
Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was 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:

Chlorine binding site 1 out of 1 in 8cx9

Go back to Chlorine Binding Sites List in 8cx9
Chlorine binding site 1 out of 1 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 Chlorine with other atoms in the Cl 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
D:Cl403

b:53.1
occ:1.00
 CG2 D:THR259 3.4 58.3 1.0
N D:LYS306 3.7 64.9 1.0
C D:PHE258 3.7 65.8 1.0
CA D:PHE258 3.9 67.0 1.0
O D:PHE258 3.9 56.4 1.0
N D:THR259 4.0 72.2 1.0
O D:LYS306 4.1 84.0 1.0
O D:THR257 4.2 68.1 1.0
CA D:TYR305 4.3 73.5 1.0
N D:PHE258 4.4 66.2 1.0
CB D:TYR305 4.4 71.9 1.0
CB D:LYS306 4.4 56.8 1.0
CB D:THR259 4.5 58.8 1.0
CA D:LYS306 4.5 69.9 1.0
C D:TYR305 4.5 69.4 1.0
C D:THR257 4.5 71.1 1.0
CA D:THR259 4.7 65.1 1.0
CD1 D:TYR305 4.7 62.7 1.0
C D:LYS306 4.8 78.9 1.0
OG1 D:THR259 4.8 57.8 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: Tue Apr 4 22:41:52 2023

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