Tungsten in PDB 8cm4: W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - Exposed to Oxygen

The structure of W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - Exposed to Oxygen, PDB code: 8cm4 was solved by G.Vilela-Alves, C.Mota, K.Klymanska, 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)	48.31 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.299, 126.897, 260.94, 90, 90, 90
R / Rfree (%)	20 / 25.6

The structure of W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - Exposed to Oxygen also contains other interesting chemical elements:

Iron

(Fe)

32 atoms

The binding sites of Tungsten atom in the W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - Exposed to Oxygen (pdb code 8cm4). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 2 binding sites of Tungsten where determined in the W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - Exposed to Oxygen, PDB code: 8cm4:
Jump to Tungsten binding site number: 1; 2;

Tungsten binding site 1 out of 2 in the W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - Exposed to Oxygen


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 C872A From Desulfovibrio Vulgaris - Exposed to Oxygen within 5.0Å range: probe atom residue distance (Å) B Occ A:W1105 b:33.3 occ:1.00 S13 A:MGD1102 2.1 31.0 1.0 S A:H2S1108 2.3 29.9 0.6 S13 A:MGD1101 2.3 30.4 1.0 S12 A:MGD1102 2.5 30.8 1.0 S12 A:MGD1101 2.5 32.6 1.0 SE A:SEC192 2.6 49.7 1.0 C13 A:MGD1101 3.4 30.2 1.0 C13 A:MGD1102 3.4 29.4 1.0 C12 A:MGD1101 3.4 31.1 1.0 CB A:SEC192 3.5 42.2 1.0 C12 A:MGD1102 3.5 29.8 1.0 CA A:GLY442 4.0 35.2 1.0 NH2 A:ARG884 4.2 34.7 1.0 N A:GLU443 4.3 32.1 1.0 N A:GLY442 4.6 39.0 1.0 CA A:SEC192 4.6 38.1 1.0 NE2 A:GLN890 4.6 38.4 1.0 C A:GLY442 4.7 33.4 1.0 CG A:GLU443 4.8 39.6 1.0 C14 A:MGD1101 4.8 31.9 1.0 C14 A:MGD1102 4.8 27.3 1.0 C11 A:MGD1101 4.9 28.9 1.0 C11 A:MGD1102 5.0 29.6 1.0

Tungsten binding site 2 out of 2 in the W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - Exposed to Oxygen


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - Exposed to Oxygen within 5.0Å range: probe atom residue distance (Å) B Occ C:W1105 b:34.3 occ:1.00 S13 C:MGD1102 2.2 22.9 1.0 S13 C:MGD1101 2.3 27.6 1.0 S C:H2S1106 2.3 30.4 0.6 S12 C:MGD1102 2.5 25.4 1.0 S12 C:MGD1101 2.6 28.9 1.0 SE C:SEC192 2.7 50.9 1.0 C13 C:MGD1102 3.4 25.0 1.0 C13 C:MGD1101 3.4 28.9 1.0 C12 C:MGD1102 3.5 25.0 1.0 C12 C:MGD1101 3.5 29.9 1.0 CB C:SEC192 3.5 46.0 1.0 CA C:GLY442 4.0 35.8 1.0 NH2 C:ARG884 4.2 41.2 1.0 N C:GLY442 4.4 36.5 1.0 N C:GLU443 4.4 37.8 1.0 NE2 C:GLN890 4.6 44.2 1.0 CA C:SEC192 4.6 43.2 1.0 C C:GLY442 4.7 37.8 1.0 C14 C:MGD1101 4.8 30.7 1.0 C14 C:MGD1102 4.8 26.0 1.0 CG C:GLU443 4.8 44.8 1.0 SD C:MET405 4.9 36.9 1.0 C11 C:MGD1102 4.9 28.1 1.0 C11 C:MGD1101 5.0 32.1 1.0

A.R.Oliveira, C.Mota, R.R.Manuel, G.Vilela-Alves, N.Pedrosa, V.Fourmond, K.Klymanska, C.Leger, B.Guigliarelli, M.J.Romao, I.C.Pereira. W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide Nat.Chem.Biol. 2023.
ISSN: ESSN 1552-4469