Gold in PDB 4a65: Crystal Structure of the Thioredoxin Reductase From Entamoeba Histolytica with Aucn

All present enzymatic activity of Crystal Structure of the Thioredoxin Reductase From Entamoeba Histolytica with Aucn:
1.8.1.9;

The structure of Crystal Structure of the Thioredoxin Reductase From Entamoeba Histolytica with Aucn, PDB code: 4a65 was solved by L.M.Podust, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	101.27 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.504, 91.387, 101.269, 90.00, 90.00, 90.00
R / Rfree (%)	16.747 / 23.005

The binding sites of Gold atom in the Crystal Structure of the Thioredoxin Reductase From Entamoeba Histolytica with Aucn (pdb code 4a65). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total 2 binding sites of Gold where determined in the Crystal Structure of the Thioredoxin Reductase From Entamoeba Histolytica with Aucn, PDB code: 4a65:
Jump to Gold binding site number: 1; 2;

Gold binding site 1 out of 2 in the Crystal Structure of the Thioredoxin Reductase From Entamoeba Histolytica with Aucn


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of Crystal Structure of the Thioredoxin Reductase From Entamoeba Histolytica with Aucn within 5.0Å range: probe atom residue distance (Å) B Occ A:Au1316 b:45.2 occ:0.30 SG A:CYS286 2.6 28.8 1.0 O A:HOH2374 3.0 41.2 1.0 O A:HOH2347 3.0 39.2 1.0 O A:HOH2334 3.2 24.3 1.0 O A:GLY283 3.3 15.3 1.0 N A:GLY283 3.6 18.1 1.0 CB A:CYS286 3.6 22.4 1.0 OG A:SER299 3.7 21.4 1.0 O A:HOH2344 3.7 22.1 1.0 C A:CYS286 3.8 20.8 1.0 N A:ASP287 3.9 18.1 1.0 CB A:ASP287 3.9 19.1 1.0 CA A:CYS286 4.1 19.2 1.0 C A:CYS282 4.1 18.2 1.0 CA A:CYS282 4.1 17.0 1.0 O A:HOH2184 4.2 37.2 1.0 C A:GLY283 4.2 15.7 1.0 O A:CYS286 4.2 23.4 1.0 CA A:ASP287 4.3 17.3 1.0 CA A:GLY283 4.4 16.5 1.0 N A:CYS286 4.5 16.8 1.0 CB A:SER299 4.7 14.9 1.0 O A:HOH2328 4.8 44.9 1.0 O A:ALA281 4.8 17.8 1.0 N A:CYS282 4.9 15.8 1.0

Gold binding site 2 out of 2 in the Crystal Structure of the Thioredoxin Reductase From Entamoeba Histolytica with Aucn


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 2 of Crystal Structure of the Thioredoxin Reductase From Entamoeba Histolytica with Aucn within 5.0Å range: probe atom residue distance (Å) B Occ B:Au1318 b:28.2 occ:0.30 SG B:CYS286 2.3 21.6 1.0 O B:HOH2294 3.1 33.6 1.0 O B:GLY283 3.2 17.5 1.0 O B:HOH2334 3.4 41.6 1.0 CB B:CYS286 3.4 18.2 1.0 O B:HOH2318 3.5 33.2 1.0 C B:CYS286 3.5 18.6 1.0 N B:GLY283 3.7 16.5 1.0 N B:ASP287 3.7 17.2 1.0 OG B:SER299 3.7 8.0 0.5 O B:HOH2305 3.8 22.7 1.0 O B:CYS286 3.8 19.3 1.0 CA B:CYS286 3.8 18.2 1.0 CB B:ASP287 3.9 18.4 1.0 CA B:ASP287 4.1 19.6 1.0 C B:CYS282 4.2 16.0 1.0 CA B:CYS282 4.2 14.8 1.0 C B:GLY283 4.2 15.4 1.0 N B:CYS286 4.3 14.1 1.0 CA B:GLY283 4.4 16.6 1.0 CB B:SER299 4.6 14.6 0.5 OG B:SER299 4.6 18.6 0.5 CB B:SER299 4.6 11.1 0.5 N B:CYS282 4.9 15.8 1.0 O B:ALA281 5.0 15.8 1.0

D.Parsonage, F.Sheng, K.Hirata, A.Debnath, J.H.Mckerrow, S.L.Reed, R.Abagyan, L.B.Poole, L.M.Podust. X-Ray Structures of Thioredoxin and Thioredoxin Reductase From Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol. V. 194 180 2016.
ISSN: ISSN 1047-8477
PubMed: 26876147
DOI: 10.1016/J.JSB.2016.02.015