Iron in PDB 4wqe: Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - K208G Mutant

All present enzymatic activity of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - K208G Mutant:
1.8.2.2;

The structure of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - K208G Mutant, PDB code: 4wqe 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)	35.33 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	79.266, 70.656, 57.948, 90.00, 129.34, 90.00
R / Rfree (%)	13.8 / 17

The structure of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - K208G Mutant also contains other interesting chemical elements:

Iodine

(I)

1 atom

The binding sites of Iron atom in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - K208G Mutant (pdb code 4wqe). 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 - K208G Mutant, PDB code: 4wqe:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - K208G Mutant


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 - K208G Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:3.6 occ:1.00 FE A:HEC1001 0.0 3.6 1.0 NB A:HEC1001 2.0 3.1 1.0 NC A:HEC1001 2.0 2.2 1.0 NA A:HEC1001 2.1 2.3 1.0 ND A:HEC1001 2.1 2.7 1.0 NE2 A:HIS53 2.1 5.3 1.0 SD A:CSS96 2.3 7.7 1.0 CE1 A:HIS53 3.0 5.0 1.0 C1C A:HEC1001 3.0 2.8 1.0 C4B A:HEC1001 3.0 3.5 1.0 C4A A:HEC1001 3.0 3.7 1.0 C1A A:HEC1001 3.0 2.7 1.0 C4C A:HEC1001 3.0 2.7 1.0 C1D A:HEC1001 3.0 3.3 1.0 C1B A:HEC1001 3.0 3.8 1.0 C4D A:HEC1001 3.1 3.6 1.0 CD2 A:HIS53 3.1 4.0 1.0 CHC A:HEC1001 3.5 3.1 1.0 CHB A:HEC1001 3.5 4.6 1.0 CHD A:HEC1001 3.5 4.7 1.0 CHA A:HEC1001 3.5 5.0 1.0 SG A:CSS96 3.5 12.5 1.0 ND1 A:HIS53 4.2 4.5 1.0 CG A:HIS53 4.3 4.6 1.0 CB A:CSS96 4.3 8.9 1.0 C2C A:HEC1001 4.3 3.8 1.0 C3A A:HEC1001 4.3 5.0 1.0 C2A A:HEC1001 4.3 4.4 1.0 C3C A:HEC1001 4.3 3.6 1.0 C3B A:HEC1001 4.3 5.0 1.0 C2D A:HEC1001 4.3 6.3 1.0 C2B A:HEC1001 4.3 6.0 1.0 C3D A:HEC1001 4.4 7.1 1.0 OG A:SER100 4.9 12.1 1.0

Iron binding site 2 out of 2 in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - K208G Mutant


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 - K208G Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1002 b:6.4 occ:1.00 FE A:HEC1002 0.0 6.4 1.0 NE2 A:HIS164 2.0 6.0 1.0 NB A:HEC1002 2.0 6.3 1.0 NA A:HEC1002 2.1 4.9 1.0 NC A:HEC1002 2.1 6.2 1.0 ND A:HEC1002 2.1 5.8 1.0 SD A:MET209 2.2 18.3 1.0 CE1 A:HIS164 3.0 5.0 1.0 C1B A:HEC1002 3.0 6.7 1.0 C1D A:HEC1002 3.0 6.0 1.0 C4A A:HEC1002 3.0 5.0 1.0 C1A A:HEC1002 3.0 5.2 1.0 C4C A:HEC1002 3.0 7.2 1.0 C4B A:HEC1002 3.0 7.2 1.0 CD2 A:HIS164 3.1 4.5 1.0 C1C A:HEC1002 3.1 6.8 1.0 C4D A:HEC1002 3.1 5.3 1.0 CE A:MET209 3.2 18.3 1.0 CHD A:HEC1002 3.4 7.6 1.0 CHB A:HEC1002 3.5 6.2 1.0 CHA A:HEC1002 3.5 5.1 1.0 CHC A:HEC1002 3.5 7.8 1.0 CG A:MET209 3.8 27.2 1.0 ND1 A:HIS164 4.1 5.3 1.0 CG A:HIS164 4.2 4.6 1.0 C2B A:HEC1002 4.3 6.2 1.0 C2A A:HEC1002 4.3 6.1 1.0 C3B A:HEC1002 4.3 7.1 1.0 C2D A:HEC1002 4.3 7.2 1.0 C3A A:HEC1002 4.3 6.3 1.0 C2C A:HEC1002 4.3 8.0 1.0 C3D A:HEC1002 4.4 7.3 1.0 C3C A:HEC1002 4.4 8.6 1.0 CB A:MET209 4.9 32.3 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