Tungsten in PDB 8bqk: W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 22 Min

The structure of W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 22 Min, PDB code: 8bqk was solved by G.Vilela-Alves, C.Mota, A.R.Oliveira, R.R.Manuel, I.C.Pereira, M.J.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	95.48 / 1.59
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.684, 123.874, 149.181, 90, 90, 90
R / Rfree (%)	17 / 19.2

The structure of W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 22 Min also contains other interesting chemical elements:

Iron

(Fe)

16 atoms

The binding sites of Tungsten atom in the W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 22 Min (pdb code 8bqk). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total only one binding site of Tungsten was determined in the W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 22 Min, PDB code: 8bqk:

Tungsten binding site 1 out of 1 in the W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 22 Min


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 22 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:W1104 b:20.9 occ:1.00 S13 A:MGD1101 2.3 21.4 1.0 S12 A:MGD1101 2.4 18.8 1.0 S13 A:MGD1102 2.4 21.5 1.0 S12 A:MGD1102 2.4 22.6 1.0 S A:H2S1105 2.4 25.4 1.0 SE A:SEC192 2.5 26.2 1.0 C13 A:MGD1101 3.4 19.2 1.0 C13 A:MGD1102 3.4 19.5 1.0 C12 A:MGD1101 3.4 17.8 1.0 C12 A:MGD1102 3.4 22.5 1.0 CB A:SEC192 3.5 24.2 1.0 NH2 A:ARG884 4.2 20.9 1.0 CA A:GLY442 4.4 19.8 1.0 NE2 A:GLN890 4.6 30.8 1.0 O A:HOH1436 4.7 21.1 1.0 CB A:GLN188 4.8 32.1 1.0 C14 A:MGD1102 4.8 21.9 1.0 C14 A:MGD1101 4.8 20.0 1.0 CA A:SEC192 4.8 32.2 1.0 C11 A:MGD1101 4.8 19.1 1.0 C11 A:MGD1102 4.9 22.6 1.0 O A:GLN188 4.9 23.0 1.0

G.Vilela-Alves, R.R.Manuel, A.R.Oliveira, I.C.Pereira, M.J.Romao, C.Mota. Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation. Int J Mol Sci V. 24 2022.
ISSN: ESSN 1422-0067
PubMed: 36613918
DOI: 10.3390/IJMS24010476