Tungsten in PDB 8cm6: W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide

The structure of W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide, PDB code: 8cm6 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)	117.57 / 1.42
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	74.467, 74.949, 122.806, 73.87, 89.14, 71.12
R / Rfree (%)	14.9 / 17.6

The structure of W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Iron	(Fe)	32 atoms

The binding sites of Tungsten atom in the W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide (pdb code 8cm6). 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 - with Formamide, PDB code: 8cm6:
Jump to Tungsten binding site number: 1; 2;

Tungsten binding site 1 out of 2 in the W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide


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 - with Formamide within 5.0Å range: probe atom residue distance (Å) B Occ A:W1102 b:10.6 occ:1.00 S A:H2S1101 2.3 15.5 1.0 S13 A:MGD1103 2.3 11.2 1.0 S12 A:MGD1104 2.4 10.3 1.0 S12 A:MGD1103 2.4 10.1 1.0 S13 A:MGD1104 2.4 10.2 1.0 SE A:SEC192 2.6 11.7 1.0 C12 A:MGD1104 3.3 11.1 1.0 C13 A:MGD1103 3.4 9.7 1.0 CB A:SEC192 3.4 10.1 1.0 C13 A:MGD1104 3.4 9.1 1.0 C12 A:MGD1103 3.4 9.2 1.0 NH2 A:ARG884 4.1 10.9 1.0 CA A:GLY442 4.1 10.4 1.0 CA A:SEC192 4.4 9.4 1.0 NE2 A:GLN890 4.5 13.6 1.0 N A:GLU443 4.6 10.2 1.0 N A:GLY442 4.7 10.1 1.0 C14 A:MGD1103 4.8 9.4 1.0 SD A:MET405 4.8 10.2 1.0 C11 A:MGD1104 4.8 9.6 1.0 C14 A:MGD1104 4.8 9.3 1.0 OE1 A:GLN890 4.8 13.1 1.0 C A:GLY442 4.9 10.3 1.0 C11 A:MGD1103 4.9 9.7 1.0

Tungsten binding site 2 out of 2 in the W-Formate Dehydrogenase C872A From Desulfovibrio Vulgaris - with Formamide


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 - with Formamide within 5.0Å range: probe atom residue distance (Å) B Occ C:W1102 b:15.3 occ:1.00 S C:H2S1101 2.3 21.5 1.0 S13 C:MGD1103 2.3 15.7 1.0 S12 C:MGD1103 2.3 14.1 1.0 S12 C:MGD1104 2.4 14.4 1.0 S13 C:MGD1104 2.4 17.9 1.0 SE C:SEC192 2.6 17.9 1.0 CB C:SEC192 3.2 15.3 1.0 C13 C:MGD1103 3.4 13.3 1.0 C12 C:MGD1103 3.4 14.1 1.0 C12 C:MGD1104 3.4 14.5 1.0 C13 C:MGD1104 3.4 15.7 1.0 NH2 C:ARG884 4.0 16.6 1.0 CA C:GLY442 4.1 14.3 1.0 NE2 C:GLN890 4.4 20.2 1.0 CA C:SEC192 4.5 17.2 1.0 N C:GLU443 4.6 13.9 1.0 N C:GLY442 4.7 13.7 1.0 SD C:MET405 4.7 16.8 1.0 C14 C:MGD1103 4.8 12.4 1.0 C11 C:MGD1103 4.8 14.4 1.0 OE1 C:GLN890 4.8 19.4 1.0 C14 C:MGD1104 4.8 15.0 1.0 C11 C:MGD1104 4.8 15.1 1.0 C C:GLY442 4.9 14.3 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