Gold in PDB 7pvj: Crystal Structure of Thioredoxin Reductase From Brugia Malayi in Complex with Auranofin

The structure of Crystal Structure of Thioredoxin Reductase From Brugia Malayi in Complex with Auranofin, PDB code: 7pvj was solved by F.Fata, M.Ardini, I.Silvestri, F.Gabriele, R.Ippoliti, R.Gencheva, Q.Cheng, E.S.J.Arner, F.Angelucci, D.L.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.36 / 3.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	147.333, 261.659, 130.289, 90, 90, 90
R / Rfree (%)	18.6 / 22.9

The structure of Crystal Structure of Thioredoxin Reductase From Brugia Malayi in Complex with Auranofin also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Gold atom in the Crystal Structure of Thioredoxin Reductase From Brugia Malayi in Complex with Auranofin (pdb code 7pvj). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total only one binding site of Gold was determined in the Crystal Structure of Thioredoxin Reductase From Brugia Malayi in Complex with Auranofin, PDB code: 7pvj:

Gold binding site 1 out of 1 in the Crystal Structure of Thioredoxin Reductase From Brugia Malayi in Complex with Auranofin


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 Thioredoxin Reductase From Brugia Malayi in Complex with Auranofin within 5.0Å range: probe atom residue distance (Å) B Occ B:Au602 b:175.2 occ:0.50 SG B:CYS22 2.3 169.5 1.0 CB B:CYS22 3.1 151.8 1.0 O B:PHE456 3.5 110.1 1.0 C B:CYS22 4.0 147.3 1.0 N B:GLU23 4.0 143.4 1.0 CA B:CYS22 4.1 147.4 1.0 C B:PHE456 4.3 105.8 1.0 CG B:GLU23 4.3 152.1 1.0 CA B:THR457 4.5 107.4 1.0 O B:CYS22 4.5 150.8 1.0 O B:THR457 4.5 117.0 1.0 O B:LYS19 4.6 127.8 1.0 C B:THR457 4.6 111.0 1.0 CA B:GLU23 4.6 144.6 1.0 N B:THR457 4.7 106.1 1.0 CG B:LYS19 4.8 151.7 1.0

F.Fata, R.Gencheva, Q.Cheng, R.Lullo, M.Ardini, I.Silvestri, F.Gabriele, R.Ippoliti, C.A.Bulman, J.A.Sakanari, D.L.Williams, E.S.J.Arner, F.Angelucci. Biochemical and Structural Characterizations of Thioredoxin Reductase Selenoproteins of the Parasitic Filarial Nematodes Brugia Malayi and Onchocerca Volvulus. Redox Biol V. 51 02278 2022.
ISSN: ISSN 2213-2317
PubMed: 35276442
DOI: 10.1016/J.REDOX.2022.102278