Calcium in PDB 2x8h: Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with Gsh

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

The structure of Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with Gsh, PDB code: 2x8h 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 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	141.576, 102.885, 59.112, 90.00, 112.62, 90.00
R / Rfree (%)	18 / 19.4

The binding sites of Calcium atom in the Thioredoxin Glutathione Reductase From Schistosoma Mansoni in Complex with Gsh (pdb code 2x8h). 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 Gsh, PDB code: 2x8h:

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


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 Gsh within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1600 b:18.4 occ:0.50 O A:THR567 2.2 8.3 1.0 O A:ASP565 2.3 9.9 1.0 O A:THR579 2.4 9.3 1.0 O A:PHE564 2.9 9.5 1.0 C A:ASP565 3.0 10.3 1.0 C A:THR567 3.4 8.5 1.0 CB A:THR579 3.4 8.8 1.0 C A:THR579 3.4 9.3 1.0 CA A:ASP565 3.4 10.5 1.0 CA A:THR579 3.7 8.9 1.0 N A:THR567 3.8 9.2 1.0 C A:PHE564 3.8 9.3 1.0 O A:HOH2344 3.9 11.4 1.0 N A:ARG566 4.0 10.2 1.0 OG1 A:THR579 4.0 9.0 1.0 N A:ASP565 4.1 9.8 1.0 C A:ARG566 4.1 9.8 1.0 CA A:THR567 4.1 8.8 1.0 N A:ILE568 4.4 8.3 1.0 CG2 A:THR579 4.5 9.0 1.0 CA A:ARG566 4.5 10.5 1.0 N A:THR580 4.6 9.8 1.0 CA A:ILE568 4.6 8.1 1.0 O A:ARG566 4.7 9.6 1.0 CB A:ASP565 4.7 10.7 1.0 CB A:THR567 4.8 8.8 1.0 CG2 A:THR580 4.8 10.6 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