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Potassium in PDB 6rtm: Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with 1-[(Dimethylamino)Methyl]-2-Naphthol at 2 Hour of Soaking

Enzymatic activity of Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with 1-[(Dimethylamino)Methyl]-2-Naphthol at 2 Hour of Soaking

All present enzymatic activity of Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with 1-[(Dimethylamino)Methyl]-2-Naphthol at 2 Hour of Soaking:
1.8.1.9;

Protein crystallography data

The structure of Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with 1-[(Dimethylamino)Methyl]-2-Naphthol at 2 Hour of Soaking, PDB code: 6rtm was solved by F.Angelucci, I.Silvestri, F.Fata, D.L.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.50 / 2.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 142.042, 102.002, 58.540, 90.00, 112.78, 90.00
R / Rfree (%) 18.4 / 23.4

Potassium Binding Sites:

The binding sites of Potassium atom in the Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with 1-[(Dimethylamino)Methyl]-2-Naphthol at 2 Hour of Soaking (pdb code 6rtm). 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 1-[(Dimethylamino)Methyl]-2-Naphthol at 2 Hour of Soaking, PDB code: 6rtm:

Potassium binding site 1 out of 1 in 6rtm

Go back to Potassium Binding Sites List in 6rtm
Potassium binding site 1 out of 1 in the Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with 1-[(Dimethylamino)Methyl]-2-Naphthol at 2 Hour of Soaking


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 1-[(Dimethylamino)Methyl]-2-Naphthol at 2 Hour of Soaking within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K604

b:31.3
occ:1.00
 O A:THR567 2.6 31.3 1.0
O A:ASP565 2.6 29.9 1.0
O A:THR579 2.7 29.2 1.0
O A:HOH890 2.8 28.8 1.0
HB A:THR579 2.8 38.0 1.0
HA A:ILE568 3.5 29.7 1.0
CB A:THR579 3.6 31.6 1.0
C A:ASP565 3.6 30.5 1.0
OG1 A:THR579 3.6 31.1 1.0
HA A:ASP565 3.6 35.4 1.0
C A:THR579 3.7 31.7 1.0
C A:THR567 3.7 26.9 1.0
HG22 A:THR580 3.9 41.6 1.0
HD13 A:ILE568 3.9 34.9 1.0
HG23 A:THR580 4.0 41.6 1.0
CA A:ASP565 4.2 29.5 1.0
CA A:THR579 4.2 29.9 1.0
O A:PHE564 4.2 29.3 1.0
HA A:THR579 4.4 35.8 1.0
H A:GLY569 4.4 35.7 1.0
CA A:ILE568 4.4 24.8 1.0
CG2 A:THR580 4.4 34.7 1.0
HG1 A:THR579 4.4 37.3 1.0
N A:ILE568 4.5 24.7 1.0
HA A:THR580 4.5 35.5 1.0
N A:THR567 4.5 29.8 1.0
H A:THR567 4.6 35.8 1.0
C A:ARG566 4.6 34.2 1.0
N A:ARG566 4.7 29.7 1.0
N A:THR580 4.8 30.8 1.0
CG2 A:THR579 4.8 31.0 1.0
CA A:THR567 4.8 29.3 1.0
HG21 A:THR579 4.8 37.2 1.0
N A:GLY569 4.9 29.8 1.0
CD1 A:ILE568 4.9 29.1 1.0
HB3 A:ASP565 4.9 41.3 1.0
O A:ARG566 5.0 31.9 1.0

Reference:

I.Silvestri, H.Lyu, F.Fata, P.R.Banta, B.Mattei, R.Ippoliti, A.Bellelli, G.Pitari, M.Ardini, V.Petukhova, G.R.J.Thatcher, P.A.Petukhov, D.L.Williams, F.Angelucci. Ectopic Suicide Inhibition of Thioredoxin Glutathione Reductase Free Radic Biol Med 2019.
DOI: 10.1016/J.FREERADBIOMED.2019.12.019
Page generated: Mon Dec 14 01:25:38 2020

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