Iron in PDB 4wqa: Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Co-Crystallization

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

The structure of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Co-Crystallization, PDB code: 4wqa 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)	46.48 / 1.64
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	79.192, 71.054, 57.781, 90.00, 129.11, 90.00
R / Rfree (%)	16.5 / 20.4

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

Iodine

(I)

1 atom

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

Iron binding site 1 out of 2 in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Co-Crystallization


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Co-Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:14.7 occ:1.00 FE A:HEC1001 0.0 14.7 1.0 NB A:HEC1001 2.0 13.1 1.0 NC A:HEC1001 2.1 13.4 1.0 ND A:HEC1001 2.1 14.4 1.0 NA A:HEC1001 2.1 13.9 1.0 NE2 A:HIS53 2.1 12.7 1.0 SD A:CSS96 2.3 18.5 1.0 C4B A:HEC1001 3.0 13.5 1.0 C1C A:HEC1001 3.0 13.0 1.0 C1B A:HEC1001 3.0 13.3 1.0 CE1 A:HIS53 3.0 17.0 1.0 C1A A:HEC1001 3.0 13.1 1.0 C1D A:HEC1001 3.0 14.1 1.0 C4D A:HEC1001 3.1 14.0 1.0 C4A A:HEC1001 3.1 13.6 1.0 C4C A:HEC1001 3.1 13.3 1.0 CD2 A:HIS53 3.2 12.4 1.0 CHC A:HEC1001 3.4 14.1 1.0 CHB A:HEC1001 3.5 13.8 1.0 CHA A:HEC1001 3.5 14.4 1.0 SG A:CSS96 3.5 22.7 1.0 CHD A:HEC1001 3.5 13.9 1.0 ND1 A:HIS53 4.2 15.3 1.0 CG A:HIS53 4.3 13.1 1.0 CB A:CSS96 4.3 20.9 1.0 C2B A:HEC1001 4.3 14.2 1.0 C3B A:HEC1001 4.3 14.6 1.0 C3A A:HEC1001 4.3 15.8 1.0 C2D A:HEC1001 4.3 15.6 1.0 C2C A:HEC1001 4.3 14.7 1.0 C2A A:HEC1001 4.4 15.5 1.0 C3C A:HEC1001 4.4 13.5 1.0 C3D A:HEC1001 4.4 16.2 1.0 OG A:SER100 4.9 25.4 1.0 O A:HOH1279 5.0 29.8 1.0

Iron binding site 2 out of 2 in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Co-Crystallization


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - Tetrathionate Co-Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1002 b:16.0 occ:1.00 FE A:HEC1002 0.0 16.0 1.0 NE2 A:HIS164 2.0 17.2 1.0 NZ A:LYS208 2.0 13.6 1.0 ND A:HEC1002 2.0 15.0 1.0 NB A:HEC1002 2.0 15.7 1.0 NA A:HEC1002 2.1 14.4 1.0 NC A:HEC1002 2.1 16.6 1.0 CE1 A:HIS164 3.0 14.8 1.0 C1B A:HEC1002 3.0 15.5 1.0 C4D A:HEC1002 3.0 15.8 1.0 C4A A:HEC1002 3.0 14.2 1.0 C1A A:HEC1002 3.0 14.1 1.0 C1D A:HEC1002 3.0 16.0 1.0 CD2 A:HIS164 3.0 14.9 1.0 C4B A:HEC1002 3.0 15.7 1.0 C4C A:HEC1002 3.1 16.2 1.0 C1C A:HEC1002 3.1 16.4 1.0 CE A:LYS208 3.1 25.9 1.0 CHB A:HEC1002 3.4 14.6 1.0 CHA A:HEC1002 3.4 15.3 1.0 CHD A:HEC1002 3.5 17.0 1.0 CHC A:HEC1002 3.5 16.1 1.0 ND1 A:HIS164 4.1 13.6 1.0 CG A:HIS164 4.1 12.0 1.0 C2B A:HEC1002 4.3 15.8 1.0 C2A A:HEC1002 4.3 13.9 1.0 C2D A:HEC1002 4.3 17.3 1.0 C3B A:HEC1002 4.3 16.2 1.0 C3A A:HEC1002 4.3 14.9 1.0 C3D A:HEC1002 4.3 16.5 1.0 CD A:LYS208 4.3 30.6 1.0 C2C A:HEC1002 4.4 17.4 1.0 C3C A:HEC1002 4.4 17.1 1.0 O A:HOH1210 4.6 35.9 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