Iodine in PDB 4wq9: Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Dithionite Soak

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

The structure of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Dithionite Soak, PDB code: 4wq9 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)	34.96 / 1.47
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	79.289, 69.864, 57.805, 90.00, 129.42, 90.00
R / Rfree (%)	14 / 17.9

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

Iron

(Fe)

2 atoms

The binding sites of Iodine atom in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Dithionite Soak (pdb code 4wq9). 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 - Dithionite Soak, PDB code: 4wq9:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Dithionite 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 - Dithionite Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I1003 b:15.1 occ:0.86 O A:HOH1146 3.6 26.1 1.0 O A:HOH1188 3.6 22.6 1.0 C A:ARG234 3.7 14.4 1.0 N A:PRO186 3.8 14.7 1.0 CA A:ARG234 3.8 13.5 1.0 C A:GLY185 4.0 13.0 1.0 N A:PRO235 4.0 12.8 1.0 N A:ARG234 4.0 11.9 1.0 CA A:PRO186 4.0 15.4 1.0 O A:ARG234 4.1 14.9 1.0 CD A:PRO186 4.1 16.9 1.0 CD A:PRO235 4.2 12.5 1.0 C A:PRO233 4.3 12.3 1.0 CA A:GLY185 4.3 12.5 1.0 CB A:PRO186 4.4 17.3 1.0 CB A:PRO233 4.5 16.9 1.0 O A:GLY185 4.5 13.4 1.0 O A:PRO233 4.5 12.8 1.0 CA A:PRO235 4.5 14.1 1.0 CG A:PRO235 4.6 13.9 1.0 CG A:PRO186 4.7 18.0 1.0

Iodine binding site 2 out of 2 in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Dithionite 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 - Dithionite Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:I1008 b:52.9 occ:0.44 OD2 A:ASP41 3.4 35.9 1.0 N A:ASP41 3.5 20.9 1.0 CD A:PRO40 3.5 16.8 1.0 CG A:ASP41 3.5 33.3 1.0 N A:PRO40 3.6 17.3 1.0 CB A:ASP41 3.7 27.6 1.0 CA A:LEU39 3.7 14.7 1.0 C A:LEU39 3.7 14.3 1.0 CG A:PRO40 3.8 18.7 1.0 CE2 A:PHE42 4.0 18.2 1.0 CD2 A:PHE42 4.0 15.8 1.0 CA A:ASP41 4.2 22.9 1.0 OD1 A:ASP41 4.2 34.1 1.0 O A:GLN38 4.3 16.6 1.0 O A:LEU39 4.4 13.7 1.0 CD2 A:LEU39 4.4 14.7 1.0 C A:PRO40 4.5 19.8 1.0 CA A:PRO40 4.5 18.6 1.0 O A:HOH1252 4.5 34.0 1.0 CB A:LEU39 4.6 13.4 1.0 N A:LEU39 4.7 13.9 1.0 CB A:PRO40 4.8 18.2 1.0 C A:GLN38 4.9 14.8 1.0 N A:PHE42 5.0 15.2 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