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Potassium in PDB 6zst: Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with 3-(3-Methoxyquinoxalin-2-Yl)Propanoic Acid

Enzymatic activity of Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with 3-(3-Methoxyquinoxalin-2-Yl)Propanoic Acid

All present enzymatic activity of Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with 3-(3-Methoxyquinoxalin-2-Yl)Propanoic Acid:
1.8.1.9;

Protein crystallography data

The structure of Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with 3-(3-Methoxyquinoxalin-2-Yl)Propanoic Acid, PDB code: 6zst was solved by F.Fata, I.Silvestri, D.L.Williams, F.Angelucci, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.93 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 142.741, 102.677, 58.746, 90, 113.02, 90
R / Rfree (%) 17.4 / 20.1

Potassium Binding Sites:

The binding sites of Potassium atom in the Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with 3-(3-Methoxyquinoxalin-2-Yl)Propanoic Acid (pdb code 6zst). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with 3-(3-Methoxyquinoxalin-2-Yl)Propanoic Acid, PDB code: 6zst:

Potassium binding site 1 out of 1 in 6zst

Go back to Potassium Binding Sites List in 6zst
Potassium binding site 1 out of 1 in the Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with 3-(3-Methoxyquinoxalin-2-Yl)Propanoic Acid


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with 3-(3-Methoxyquinoxalin-2-Yl)Propanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K602

b:15.6
occ:1.00
 O A:THR579 2.7 13.1 1.0
O A:ASP565 2.7 15.6 1.0
O A:THR567 2.7 13.6 1.0
O A:HOH932 2.8 14.6 1.0
CB A:THR579 3.6 13.0 1.0
C A:ASP565 3.7 15.7 1.0
C A:THR579 3.7 14.9 1.0
OG1 A:THR579 3.7 13.8 1.0
C A:THR567 3.8 13.1 1.0
CA A:ASP565 4.2 14.8 1.0
CA A:THR579 4.2 13.4 1.0
O A:PHE564 4.2 16.3 1.0
CG2 A:THR580 4.3 15.6 1.0
CA A:ILE568 4.4 12.6 1.0
N A:ILE568 4.6 12.8 1.0
N A:THR567 4.6 13.0 1.0
CD1 A:ILE568 4.6 14.5 1.0
N A:ARG566 4.7 14.2 1.0
N A:THR580 4.7 13.9 1.0
C A:ARG566 4.8 15.7 1.0
N A:GLY569 4.8 12.5 1.0
CG2 A:THR579 4.8 15.0 1.0
CA A:THR567 4.9 13.9 1.0

Reference:

F.Fata, I.Silvestri, M.Ardini, R.Ippoliti, L.Di Leandro, N.Demitri, M.Polentarutti, A.Di Matteo, H.Lyu, G.R.J.Thatcher, P.A.Petukhov, D.L.Williams, F.Angelucci. Probing the Surface of A Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis. 2021.
ISSN: ESSN 2373-8227
PubMed: 33950676
DOI: 10.1021/ACSINFECDIS.0C00909
Page generated: Mon Aug 12 18:34:49 2024

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