Iodine in PDB 4wq8: Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Soak

All present enzymatic activity of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Soak:
1.8.2.2;

The structure of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Soak, PDB code: 4wq8 was solved by J.A.Brito, K.Denkmann, I.A.C.Pereira, C.Dahl, M.Archer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.42 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	79.030, 70.125, 57.723, 90.00, 129.20, 90.00
R / Rfree (%)	13.8 / 16.5

The structure of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Soak also contains other interesting chemical elements:

Iron

(Fe)

3 atoms

The binding sites of Iodine atom in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Soak (pdb code 4wq8). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Soak, PDB code: 4wq8:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I1003 b:18.3 occ:0.89 O A:HOH1129 3.5 27.5 1.0 O A:HOH1241 3.6 26.3 1.0 C A:ARG234 3.7 16.1 1.0 CA A:ARG234 3.8 15.6 1.0 N A:PRO186 3.8 17.4 1.0 N A:PRO235 3.9 15.5 1.0 C A:GLY185 4.0 16.1 1.0 N A:ARG234 4.0 16.4 1.0 CA A:PRO186 4.0 18.3 1.0 CD A:PRO186 4.0 18.3 1.0 O A:ARG234 4.1 18.1 1.0 CD A:PRO235 4.2 16.1 1.0 CA A:GLY185 4.3 15.5 1.0 C A:PRO233 4.3 16.5 1.0 CB A:PRO186 4.3 22.0 1.0 CB A:PRO233 4.4 19.3 1.0 O A:GLY185 4.4 15.0 1.0 CA A:PRO235 4.5 17.3 1.0 O A:PRO233 4.5 16.9 1.0 CG A:PRO235 4.6 16.7 1.0 CG A:PRO186 4.7 21.7 1.0

Iodine binding site 2 out of 2 in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Soak


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I1004 b:34.5 occ:0.27 OD2 A:ASP41 3.3 38.5 1.0 CG A:ASP41 3.4 34.2 1.0 N A:ASP41 3.4 24.5 1.0 CB A:ASP41 3.5 28.6 1.0 CD A:PRO40 3.6 20.5 1.0 N A:PRO40 3.6 19.4 1.0 C A:LEU39 3.7 17.4 1.0 CA A:LEU39 3.8 15.1 1.0 CE2 A:PHE42 3.9 22.5 1.0 CG A:PRO40 3.9 22.1 1.0 CD2 A:PHE42 4.0 20.0 1.0 CA A:ASP41 4.1 25.2 1.0 OD1 A:ASP41 4.1 33.5 1.0 O A:GLN38 4.3 19.4 1.0 CD2 A:LEU39 4.4 17.6 1.0 O A:LEU39 4.4 16.7 1.0 O A:HOH1263 4.4 28.4 1.0 C A:PRO40 4.4 21.7 1.0 CA A:PRO40 4.5 21.5 1.0 CB A:LEU39 4.6 16.0 1.0 N A:LEU39 4.8 16.1 1.0 CB A:PRO40 4.8 21.9 1.0 N A:PHE42 4.9 17.0 1.0 C A:ASP41 5.0 22.0 1.0 C A:GLN38 5.0 17.3 1.0

J.A.Brito, K.Denkmann, I.A.C.Pereira, C.Dahl, M.Archer. Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum: Structural and Functional Insights Into Thiosulfate Oxidation J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X
DOI: 10.1074/JBC.M114.623397