Atomistry » Chlorine » PDB 7q6s-7qfg » 7qch
Atomistry »
  Chlorine »
    PDB 7q6s-7qfg »
      7qch »

Chlorine in PDB 7qch: Structure of Sars-Cov-2 Papain-Like Protease Bound to N-(3,5- Dimethoxy-4-Hydroxybenzyliden)Thiosemicarbazone

Enzymatic activity of Structure of Sars-Cov-2 Papain-Like Protease Bound to N-(3,5- Dimethoxy-4-Hydroxybenzyliden)Thiosemicarbazone

All present enzymatic activity of Structure of Sars-Cov-2 Papain-Like Protease Bound to N-(3,5- Dimethoxy-4-Hydroxybenzyliden)Thiosemicarbazone:
3.4.19.12;

Protein crystallography data

The structure of Structure of Sars-Cov-2 Papain-Like Protease Bound to N-(3,5- Dimethoxy-4-Hydroxybenzyliden)Thiosemicarbazone, PDB code: 7qch was solved by W.Ewert, S.Gunther, P.Reinke, S.Falke, J.Lieske, F.Miglioli, M.Carcelli, V.Srinivasan, C.Betzel, H.Han, K.Lorenzen, C.Guenther, S.Niebling, M.Garcia-Alai, W.Hinrichs, D.Rogolino, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.22 / 1.88
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 83.65, 83.65, 134.166, 90, 90, 120
R / Rfree (%) 20.8 / 23.5

Other elements in 7qch:

The structure of Structure of Sars-Cov-2 Papain-Like Protease Bound to N-(3,5- Dimethoxy-4-Hydroxybenzyliden)Thiosemicarbazone also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Sars-Cov-2 Papain-Like Protease Bound to N-(3,5- Dimethoxy-4-Hydroxybenzyliden)Thiosemicarbazone (pdb code 7qch). 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 Sars-Cov-2 Papain-Like Protease Bound to N-(3,5- Dimethoxy-4-Hydroxybenzyliden)Thiosemicarbazone, PDB code: 7qch:

Chlorine binding site 1 out of 1 in 7qch

Go back to Chlorine Binding Sites List in 7qch
Chlorine binding site 1 out of 1 in the Structure of Sars-Cov-2 Papain-Like Protease Bound to N-(3,5- Dimethoxy-4-Hydroxybenzyliden)Thiosemicarbazone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Sars-Cov-2 Papain-Like Protease Bound to N-(3,5- Dimethoxy-4-Hydroxybenzyliden)Thiosemicarbazone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl410

b:36.9
occ:1.00
 H A:PHE127 2.3 52.1 1.0
HZ2 A:LYS126 2.9 101.4 1.0
HA A:GLN133 3.0 44.9 1.0
HZ3 A:LYS126 3.0 101.4 1.0
HA A:LYS126 3.0 55.9 1.0
O A:HOH528 3.1 52.6 1.0
HG2 A:GLN133 3.1 50.5 1.0
HG2 A:LYS126 3.1 115.9 1.0
HD1 A:PHE127 3.1 48.5 1.0
HD2 A:TYR136 3.2 47.7 1.0
HB2 A:PHE127 3.2 41.5 1.0
N A:PHE127 3.2 43.4 1.0
O A:HOH530 3.2 62.1 1.0
NZ A:LYS126 3.4 84.5 1.0
HD3 A:LYS126 3.6 130.6 1.0
CA A:LYS126 3.9 46.5 1.0
CB A:PHE127 3.9 34.5 1.0
CD1 A:PHE127 3.9 40.4 1.0
CA A:GLN133 3.9 37.4 1.0
CG A:LYS126 3.9 96.6 1.0
C A:LYS126 4.0 44.3 1.0
CG A:GLN133 4.0 42.1 1.0
HZ1 A:LYS126 4.0 101.4 1.0
CA A:PHE127 4.1 38.7 1.0
HB3 A:TYR136 4.1 43.0 1.0
CD A:LYS126 4.1 108.8 1.0
CD2 A:TYR136 4.1 39.7 1.0
HB3 A:GLN133 4.1 42.9 1.0
CB A:GLN133 4.3 35.8 1.0
O A:PHE127 4.3 41.8 1.0
CE A:LYS126 4.3 104.0 1.0
CG A:PHE127 4.4 36.7 1.0
HG3 A:GLN133 4.4 50.5 1.0
O A:LEU125 4.5 45.5 1.0
CB A:LYS126 4.5 64.2 1.0
O A:GLN133 4.6 41.9 1.0
HE2 A:TYR136 4.6 54.3 1.0
C A:PHE127 4.7 45.0 1.0
HG3 A:LYS126 4.7 115.9 1.0
HB3 A:PHE127 4.7 41.5 1.0
N A:GLN133 4.7 34.9 1.0
C A:GLN133 4.8 45.3 1.0
HE3 A:LYS126 4.8 124.8 1.0
CE2 A:TYR136 4.9 45.3 1.0
CB A:TYR136 4.9 35.8 1.0
HA A:PHE127 4.9 46.4 1.0
O A:HOH591 4.9 48.8 1.0
CE1 A:PHE127 4.9 38.8 1.0
CG A:TYR136 5.0 37.5 1.0
HH22 A:ARG140 5.0 100.5 1.0
O A:LEU132 5.0 40.6 1.0
N A:LYS126 5.0 47.0 1.0
HD2 A:LYS126 5.0 130.6 1.0

Reference:

W.Ewert, S.Gunther, F.Miglioli, S.Falke, P.Y.A.Reinke, S.Niebling, C.Gunther, H.Han, V.Srinivasan, H.Brognaro, J.Lieske, K.Lorenzen, M.M.Garcia-Alai, C.Betzel, M.Carcelli, W.Hinrichs, D.Rogolino, A.Meents. Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of Sars-Cov-2 Papain-Like Protease. Front Chem V. 10 32431 2022.
ISSN: ESSN 2296-2646
PubMed: 35480391
DOI: 10.3389/FCHEM.2022.832431
Page generated: Sun Jul 13 06:16:59 2025

Last articles

Zn in 9UUO
Zn in 9UUS
Zn in 9W4R
Zn in 9VKW
Zn in 9W4S
Zn in 9VH1
Zn in 9RMX
Zn in 9RMU
Zn in 9QWN
Zn in 9U9Y
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy