Calcium in PDB 2x99: Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with Nadph

All present enzymatic activity of Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with Nadph:
1.6.4.5;

The structure of Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with Nadph, PDB code: 2x99 was solved by F.Angelucci, D.Dimastrogiovanni, G.Boumis, M.Brunori, A.E.Miele, F.Saccoccia, A.Bellelli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	141.502, 102.610, 59.938, 90.00, 112.82, 90.00
R / Rfree (%)	19 / 23.1

The binding sites of Calcium atom in the Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with Nadph (pdb code 2x99). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with Nadph, PDB code: 2x99:

Calcium binding site 1 out of 1 in the Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with Nadph


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with Nadph within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca605 b:71.4 occ:1.00 O A:THR579 2.6 27.9 1.0 O A:THR567 2.7 26.4 1.0 O A:HOH798 2.8 16.7 1.0 O A:ASP565 3.0 28.8 1.0 C A:THR579 3.6 27.0 1.0 CB A:THR579 3.7 25.8 1.0 C A:THR567 3.9 25.7 1.0 OG1 A:THR579 3.9 26.4 1.0 CG2 A:THR580 3.9 30.9 1.0 C A:ASP565 4.0 28.7 1.0 CA A:THR579 4.2 25.9 1.0 O A:PHE564 4.4 27.1 1.0 CA A:ILE568 4.4 25.4 1.0 CA A:ASP565 4.5 29.1 1.0 N A:THR580 4.5 27.9 1.0 N A:ILE568 4.6 25.8 1.0 N A:THR567 4.7 27.0 1.0 CA A:THR580 4.7 30.0 1.0 C A:ARG566 4.8 28.7 1.0 N A:GLY569 4.8 24.9 1.0 CA A:THR567 4.9 26.2 1.0 CD1 A:ILE568 4.9 28.6 1.0 CG2 A:THR579 5.0 24.9 1.0 CB A:THR580 5.0 30.0 1.0 N A:ARG566 5.0 30.1 1.0 C A:ILE568 5.0 25.1 1.0

F.Angelucci, D.Dimastrogiovanni, G.Boumis, M.Brunori, A.E.Miele, F.Saccoccia, A.Bellelli. Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase By X-Ray Crystallography J.Biol.Chem. V. 285 32557 2010.
ISSN: ISSN 0021-9258
PubMed: 20659890
DOI: 10.1074/JBC.M110.141960