Calcium in PDB 6hpe: Crystal Structure of Glutathione Transferase Omega 3S From Trametes Versicolor in Complex with the Glutathione Adduct of Phenethyl- Isothiocyanate

The structure of Crystal Structure of Glutathione Transferase Omega 3S From Trametes Versicolor in Complex with the Glutathione Adduct of Phenethyl- Isothiocyanate, PDB code: 6hpe was solved by M.Schwartz, F.Favier, C.Didierjean, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.74 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.260, 104.030, 106.470, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 18.2

The binding sites of Calcium atom in the Crystal Structure of Glutathione Transferase Omega 3S From Trametes Versicolor in Complex with the Glutathione Adduct of Phenethyl- Isothiocyanate (pdb code 6hpe). 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 Crystal Structure of Glutathione Transferase Omega 3S From Trametes Versicolor in Complex with the Glutathione Adduct of Phenethyl- Isothiocyanate, PDB code: 6hpe:

Calcium binding site 1 out of 1 in the Crystal Structure of Glutathione Transferase Omega 3S From Trametes Versicolor in Complex with the Glutathione Adduct of Phenethyl- Isothiocyanate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Glutathione Transferase Omega 3S From Trametes Versicolor in Complex with the Glutathione Adduct of Phenethyl- Isothiocyanate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca303 b:24.3 occ:1.00 O B:HOH545 2.2 36.3 1.0 O B:HOH577 2.3 31.9 1.0 O B:GLY145 2.4 19.9 1.0 O B:HOH573 2.4 25.1 1.0 O B:HOH515 2.4 27.6 1.0 C B:GLY145 3.5 19.5 1.0 HA2 B:GLY145 4.0 21.7 1.0 CA B:GLY145 4.2 18.1 1.0 HA3 B:GLY145 4.2 21.7 1.0 HA B:ALA146 4.2 20.7 1.0 O B:HOH618 4.6 37.0 1.0 N B:ALA146 4.6 16.9 1.0 O B:HOH482 4.6 21.2 1.0 O B:HOH563 4.6 27.9 1.0 O B:LEU147 4.7 20.2 1.0 HD3 B:PRO149 4.7 28.6 1.0 H61 B:PG4301 4.8 37.0 1.0 CA B:ALA146 4.8 17.2 1.0

M.Schwartz, T.Perrot, M.Morel-Rouhier, G.Mulliert, E.Gelhaye, C.Didierjean, F.Favier. The Structure of Trametes Versicolor Glutathione Transferase Omega 3S Bound to Its Conjugation Product Glutathionyl-Phenethylthiocarbamate Reveals Plasticity of Its Active Site. Protein Sci. V. 28 1143 2019.
ISSN: ESSN 1469-896X
PubMed: 30972861
DOI: 10.1002/PRO.3620