Iron in PDB 4wqc: Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - K208N Mutant

All present enzymatic activity of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - K208N Mutant:
1.8.2.2;

The structure of Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - K208N Mutant, PDB code: 4wqc 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)	39.44 / 1.56
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	79.054, 71.034, 57.811, 90.00, 129.10, 90.00
R / Rfree (%)	14.6 / 20.1

The binding sites of Iron atom in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - K208N Mutant (pdb code 4wqc). 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 - K208N Mutant, PDB code: 4wqc:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - K208N 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 - K208N Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:17.3 occ:1.00 FE A:HEC1001 0.0 17.3 1.0 NB A:HEC1001 2.0 13.8 1.0 NC A:HEC1001 2.1 14.8 1.0 NA A:HEC1001 2.1 15.2 1.0 ND A:HEC1001 2.1 13.7 1.0 NE2 A:HIS53 2.1 17.3 1.0 SG A:CYS96 2.4 12.8 0.6 C4B A:HEC1001 3.0 15.6 1.0 C1C A:HEC1001 3.0 16.1 1.0 C1B A:HEC1001 3.0 15.8 1.0 C1A A:HEC1001 3.0 17.0 1.0 C4A A:HEC1001 3.1 16.8 1.0 CE1 A:HIS53 3.1 16.0 1.0 C4D A:HEC1001 3.1 15.9 1.0 C4C A:HEC1001 3.1 13.9 1.0 C1D A:HEC1001 3.1 16.1 1.0 CD2 A:HIS53 3.1 16.6 1.0 SG A:CYS96 3.2 28.6 0.4 CHC A:HEC1001 3.5 16.8 1.0 CHB A:HEC1001 3.5 18.9 1.0 CHA A:HEC1001 3.5 17.1 1.0 CHD A:HEC1001 3.5 17.0 1.0 CB A:CYS96 3.6 17.5 0.6 CB A:CYS96 3.7 26.8 0.4 ND1 A:HIS53 4.2 16.4 1.0 CG A:HIS53 4.3 15.6 1.0 C2B A:HEC1001 4.3 16.4 1.0 C3B A:HEC1001 4.3 18.6 1.0 C2C A:HEC1001 4.3 16.2 1.0 C2A A:HEC1001 4.3 16.4 1.0 C3A A:HEC1001 4.3 16.6 1.0 C3C A:HEC1001 4.4 16.3 1.0 C2D A:HEC1001 4.4 16.7 1.0 C3D A:HEC1001 4.4 19.3 1.0 OG A:SER100 4.8 24.5 1.0

Iron binding site 2 out of 2 in the Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum - K208N 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 - K208N Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1002 b:17.9 occ:1.00 FE A:HEC1002 0.0 17.9 1.0 NE2 A:HIS164 2.0 18.1 1.0 NB A:HEC1002 2.0 16.6 1.0 NA A:HEC1002 2.1 16.2 1.0 ND A:HEC1002 2.1 16.0 1.0 NC A:HEC1002 2.1 18.1 1.0 SD A:MET209 2.3 20.2 1.0 CD2 A:HIS164 3.0 17.9 1.0 C4B A:HEC1002 3.0 20.5 1.0 C4D A:HEC1002 3.0 19.9 1.0 C4A A:HEC1002 3.0 17.0 1.0 C1A A:HEC1002 3.0 17.8 1.0 C1B A:HEC1002 3.0 16.8 1.0 C1D A:HEC1002 3.1 16.9 1.0 C4C A:HEC1002 3.1 17.2 1.0 C1C A:HEC1002 3.1 18.1 1.0 CE1 A:HIS164 3.1 19.1 1.0 CG A:MET209 3.4 21.0 1.0 CE A:MET209 3.5 22.1 1.0 CHA A:HEC1002 3.5 18.9 1.0 CHC A:HEC1002 3.5 18.7 1.0 CHB A:HEC1002 3.5 17.2 1.0 CHD A:HEC1002 3.5 17.7 1.0 CG A:HIS164 4.1 18.3 1.0 ND1 A:HIS164 4.1 18.4 1.0 CB A:MET209 4.3 21.9 1.0 C2A A:HEC1002 4.3 18.3 1.0 C3B A:HEC1002 4.3 19.5 1.0 C3A A:HEC1002 4.3 17.0 1.0 C3D A:HEC1002 4.3 18.8 1.0 C2B A:HEC1002 4.3 18.6 1.0 C2D A:HEC1002 4.3 17.7 1.0 C2C A:HEC1002 4.4 19.2 1.0 C3C A:HEC1002 4.4 19.0 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