Tungsten in PDB 8bqj: W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 5 Min

The structure of W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 5 Min, PDB code: 8bqj 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)	95.60 / 2.11
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	123.351, 150.55, 64.941, 90, 90, 90
R / Rfree (%)	21.4 / 24.5

The structure of W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 5 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 5 Min (pdb code 8bqj). 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 5 Min, PDB code: 8bqj:

Tungsten binding site 1 out of 1 in the W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 5 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 5 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:W1105 b:30.1 occ:1.00 S13 A:MGD1101 2.4 31.1 1.0 SE A:SEC192 2.4 35.7 1.0 S13 A:MGD1102 2.4 23.8 1.0 S12 A:MGD1101 2.5 26.5 1.0 S12 A:MGD1102 2.5 32.8 1.0 S A:H2S1104 2.5 33.0 1.0 C13 A:MGD1101 3.3 27.3 1.0 C12 A:MGD1101 3.4 27.4 1.0 C13 A:MGD1102 3.5 28.9 1.0 C12 A:MGD1102 3.5 30.6 1.0 CB A:SEC192 3.5 38.8 1.0 NH2 A:ARG884 4.2 27.9 1.0 CA A:GLY442 4.3 33.4 1.0 OE1 A:GLN890 4.6 30.3 1.0 CB A:GLN188 4.6 33.7 1.0 O A:GLN188 4.8 35.5 1.0 C14 A:MGD1101 4.8 26.5 1.0 O A:HOH1264 4.8 32.7 1.0 N A:GLU443 4.8 34.0 1.0 C11 A:MGD1101 4.8 26.6 1.0 CA A:SEC192 4.8 38.7 1.0 NE2 A:GLN890 4.9 31.2 1.0 C11 A:MGD1102 4.9 30.9 1.0 C14 A:MGD1102 4.9 28.6 1.0 N A:GLY442 5.0 33.4 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