Tungsten in PDB 8bqi: W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 3 Min

The structure of W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 3 Min, PDB code: 8bqi 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)	95.73 / 2.36
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.992, 123.751, 150.358, 90, 90, 90
R / Rfree (%)	21.3 / 24.8

The structure of W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 3 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 3 Min (pdb code 8bqi). 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 3 Min, PDB code: 8bqi:

Tungsten binding site 1 out of 1 in the W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 3 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 3 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:W1105 b:37.3 occ:1.00 S13 A:MGD1102 2.2 40.0 1.0 S A:H2S1104 2.3 37.6 1.0 S12 A:MGD1102 2.5 41.6 1.0 S13 A:MGD1101 2.5 37.9 1.0 S12 A:MGD1101 2.5 34.1 1.0 SE A:SEC192 2.6 43.2 1.0 C13 A:MGD1102 3.3 42.4 1.0 C12 A:MGD1102 3.3 39.5 1.0 C13 A:MGD1101 3.4 35.0 1.0 C12 A:MGD1101 3.5 33.7 1.0 CB A:SEC192 3.6 41.3 1.0 NH2 A:ARG884 4.3 37.4 1.0 CA A:GLY442 4.4 32.2 1.0 NE2 A:GLN890 4.5 52.2 1.0 C14 A:MGD1102 4.7 37.7 1.0 NE2 A:HIS193 4.7 41.5 0.5 C11 A:MGD1102 4.8 40.2 1.0 O A:GLN188 4.8 41.4 1.0 CB A:GLN188 4.8 40.3 1.0 C14 A:MGD1101 4.9 34.4 1.0 C11 A:MGD1101 4.9 33.1 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