Tungsten in PDB 8bqg: W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 1 Min

The structure of W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 1 Min, PDB code: 8bqg 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)	94.93 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.537, 122.778, 148.985, 90, 90, 90
R / Rfree (%)	19.3 / 24.3

The structure of W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 1 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 1 Min (pdb code 8bqg). 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 1 Min, PDB code: 8bqg:

Tungsten binding site 1 out of 1 in the W-Formate Dehydrogenase From Desulfovibrio Vulgaris - Soaking with Formate 1 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 1 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:W1105 b:28.6 occ:1.00 S A:H2S1104 2.1 36.8 1.0 S13 A:MGD1102 2.3 28.8 1.0 S13 A:MGD1101 2.4 25.4 1.0 S12 A:MGD1102 2.4 33.4 1.0 S12 A:MGD1101 2.4 24.2 1.0 SE A:SEC192 2.5 32.7 1.0 C13 A:MGD1101 3.3 25.7 1.0 C12 A:MGD1101 3.3 26.2 1.0 C13 A:MGD1102 3.5 28.7 1.0 C12 A:MGD1102 3.5 28.4 1.0 CB A:SEC192 3.7 35.0 1.0 NH2 A:ARG884 4.3 26.2 1.0 CA A:GLY442 4.4 28.7 1.0 NE2 A:GLN890 4.6 39.3 1.0 NE2 A:HIS193 4.7 33.4 1.0 C14 A:MGD1101 4.7 25.2 1.0 C11 A:MGD1101 4.8 27.2 1.0 CB A:GLN188 4.9 33.6 1.0 C14 A:MGD1102 4.9 30.0 1.0 C11 A:MGD1102 4.9 31.1 1.0 N A:GLU443 5.0 30.1 1.0 O A:GLN188 5.0 32.4 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