Iron in PDB 4wq7: Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - "As Isolated" Form

All present enzymatic activity of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - "As Isolated" Form:
1.8.2.2;

The structure of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - "As Isolated" Form, PDB code: 4wq7 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)	44.81 / 1.98
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	79.213, 69.883, 57.864, 90.00, 129.25, 90.00
R / Rfree (%)	13.8 / 19

The structure of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - "As Isolated" Form also contains other interesting chemical elements:

Iodine

(I)

3 atoms

The binding sites of Iron atom in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - "As Isolated" Form (pdb code 4wq7). 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 - "As Isolated" Form, PDB code: 4wq7:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - "As Isolated" Form


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 - "As Isolated" Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:13.3 occ:1.00 FE A:HEC1001 0.0 13.3 1.0 NB A:HEC1001 2.1 10.5 1.0 NC A:HEC1001 2.1 11.0 1.0 NE2 A:HIS53 2.1 6.4 1.0 NA A:HEC1001 2.1 12.2 1.0 ND A:HEC1001 2.1 12.8 1.0 SG A:CYS96 2.4 13.6 1.0 C4B A:HEC1001 3.0 10.5 1.0 C1B A:HEC1001 3.0 10.3 1.0 CE1 A:HIS53 3.0 15.3 1.0 C1C A:HEC1001 3.1 10.2 1.0 C4C A:HEC1001 3.1 11.1 1.0 C4A A:HEC1001 3.1 11.4 1.0 C1A A:HEC1001 3.1 11.9 1.0 C4D A:HEC1001 3.1 13.0 1.0 C1D A:HEC1001 3.1 12.4 1.0 CD2 A:HIS53 3.1 7.9 1.0 CHC A:HEC1001 3.5 9.7 1.0 CHB A:HEC1001 3.5 10.2 1.0 CHA A:HEC1001 3.5 12.3 1.0 CHD A:HEC1001 3.5 10.7 1.0 CB A:CYS96 3.6 12.2 1.0 ND1 A:HIS53 4.2 14.3 1.0 CG A:HIS53 4.2 7.3 1.0 C2B A:HEC1001 4.3 10.4 1.0 C3B A:HEC1001 4.3 10.5 1.0 C2C A:HEC1001 4.4 9.8 1.0 C3C A:HEC1001 4.4 10.3 1.0 C2A A:HEC1001 4.4 12.4 1.0 C3A A:HEC1001 4.4 12.3 1.0 C3D A:HEC1001 4.4 14.2 1.0 C2D A:HEC1001 4.4 13.3 1.0 OG A:SER100 4.7 16.1 1.0 NH1 A:ARG92 5.0 27.9 1.0

Iron binding site 2 out of 2 in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - "As Isolated" Form


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 - "As Isolated" Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1002 b:13.8 occ:1.00 FE A:HEC1002 0.0 13.8 1.0 NE2 A:HIS164 2.0 9.3 1.0 NA A:HEC1002 2.1 12.4 1.0 NC A:HEC1002 2.1 12.4 1.0 NB A:HEC1002 2.1 12.3 1.0 ND A:HEC1002 2.1 12.1 1.0 NZ A:LYS208 2.1 6.9 1.0 CE1 A:HIS164 3.0 8.8 1.0 C4A A:HEC1002 3.0 11.4 1.0 CD2 A:HIS164 3.0 7.4 1.0 C4C A:HEC1002 3.0 12.2 1.0 C1A A:HEC1002 3.0 11.2 1.0 C1B A:HEC1002 3.0 11.9 1.0 C4D A:HEC1002 3.1 11.2 1.0 C1C A:HEC1002 3.1 12.5 1.0 C1D A:HEC1002 3.1 12.1 1.0 C4B A:HEC1002 3.1 12.3 1.0 CE A:LYS208 3.2 30.9 1.0 CHB A:HEC1002 3.4 11.0 1.0 CHA A:HEC1002 3.5 11.4 1.0 CHD A:HEC1002 3.5 11.8 1.0 CHC A:HEC1002 3.5 12.1 1.0 ND1 A:HIS164 4.1 9.9 1.0 CG A:HIS164 4.1 14.3 1.0 C3A A:HEC1002 4.3 9.8 1.0 C2A A:HEC1002 4.3 11.1 1.0 C2B A:HEC1002 4.4 12.3 1.0 C3C A:HEC1002 4.4 12.7 1.0 C2C A:HEC1002 4.4 11.8 1.0 C3D A:HEC1002 4.4 11.7 1.0 C2D A:HEC1002 4.4 12.2 1.0 C3B A:HEC1002 4.4 12.5 1.0 CD A:LYS208 4.4 36.5 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