Iron in PDB 4v2k: Crystal Structure of the Thiosulfate Dehydrogenase Tsda in Complex with Thiosulfate

All present enzymatic activity of Crystal Structure of the Thiosulfate Dehydrogenase Tsda in Complex with Thiosulfate:
1.8.2.2;

The structure of Crystal Structure of the Thiosulfate Dehydrogenase Tsda in Complex with Thiosulfate, PDB code: 4v2k was solved by D.B.Grabarczyk, P.E.Chappell, B.Eisel, S.Johnson, S.M.Lea, B.C.Berks, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.52 / 1.29
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	79.280, 70.420, 57.910, 90.00, 129.34, 90.00
R / Rfree (%)	14.259 / 15.528

The binding sites of Iron atom in the Crystal Structure of the Thiosulfate Dehydrogenase Tsda in Complex with Thiosulfate (pdb code 4v2k). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Thiosulfate Dehydrogenase Tsda in Complex with Thiosulfate, PDB code: 4v2k:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Thiosulfate Dehydrogenase Tsda in Complex with Thiosulfate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Thiosulfate Dehydrogenase Tsda in Complex with Thiosulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:9.0 occ:1.00 FE A:HEM600 0.0 9.0 1.0 ND A:HEM600 2.0 9.6 1.0 NB A:HEM600 2.0 9.2 1.0 NE2 A:HIS191 2.1 14.3 1.0 NC A:HEM600 2.1 8.2 1.0 NA A:HEM600 2.1 9.2 1.0 SD A:MET236 2.4 19.3 1.0 CE1 A:HIS191 3.0 13.9 1.0 C4B A:HEM600 3.0 9.2 1.0 C1D A:HEM600 3.0 9.2 1.0 C1C A:HEM600 3.0 8.1 1.0 C1B A:HEM600 3.0 8.8 1.0 C4C A:HEM600 3.0 9.4 1.0 C4D A:HEM600 3.0 9.8 1.0 C1A A:HEM600 3.0 9.7 1.0 C4A A:HEM600 3.1 10.1 1.0 CD2 A:HIS191 3.1 14.1 1.0 CHD A:HEM600 3.4 9.5 1.0 CHC A:HEM600 3.4 9.5 1.0 CHB A:HEM600 3.4 9.5 1.0 CHA A:HEM600 3.4 9.6 1.0 CG A:MET236 3.5 20.3 1.0 CE A:MET236 3.5 21.9 1.0 ND1 A:HIS191 4.1 14.0 1.0 CG A:HIS191 4.2 13.6 1.0 C2B A:HEM600 4.2 9.2 1.0 C3C A:HEM600 4.2 9.5 1.0 C3B A:HEM600 4.2 8.9 1.0 C3D A:HEM600 4.2 9.7 1.0 C2C A:HEM600 4.3 9.6 1.0 C2A A:HEM600 4.3 9.6 1.0 C2D A:HEM600 4.3 10.0 1.0 C3A A:HEM600 4.3 9.9 1.0 CB A:MET236 4.4 22.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Thiosulfate Dehydrogenase Tsda in Complex with Thiosulfate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Thiosulfate Dehydrogenase Tsda in Complex with Thiosulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:10.0 occ:1.00 FE A:HEM601 0.0 10.0 1.0 NA A:HEM601 2.0 9.8 1.0 NB A:HEM601 2.0 9.7 1.0 ND A:HEM601 2.0 10.0 1.0 NC A:HEM601 2.0 9.6 1.0 NE2 A:HIS80 2.0 13.2 1.0 SD A:CSS123 2.3 16.7 1.0 CE1 A:HIS80 2.9 13.2 1.0 C1B A:HEM601 3.0 9.8 1.0 C4B A:HEM601 3.0 10.3 1.0 C1A A:HEM601 3.0 9.4 1.0 C4A A:HEM601 3.0 9.9 1.0 C1D A:HEM601 3.0 10.3 1.0 C4D A:HEM601 3.0 9.9 1.0 C1C A:HEM601 3.0 10.2 1.0 C4C A:HEM601 3.1 9.2 1.0 CD2 A:HIS80 3.1 12.2 1.0 CHB A:HEM601 3.4 10.4 1.0 CHD A:HEM601 3.4 10.1 1.0 CHA A:HEM601 3.4 10.0 1.0 CHC A:HEM601 3.4 9.9 1.0 SG A:CSS123 3.5 22.4 1.0 ND1 A:HIS80 4.1 13.1 1.0 CG A:HIS80 4.2 12.1 1.0 C2B A:HEM601 4.2 10.3 1.0 C3A A:HEM601 4.2 10.0 1.0 C3B A:HEM601 4.3 10.2 1.0 C2A A:HEM601 4.3 10.2 1.0 C2D A:HEM601 4.3 11.1 1.0 C3C A:HEM601 4.3 10.0 1.0 C3D A:HEM601 4.3 11.5 1.0 C2C A:HEM601 4.3 10.3 1.0 CB A:CSS123 4.3 17.9 1.0 NH2 A:ARG119 4.8 25.5 0.5 S2 A:THJ700 4.9 17.9 0.5

D.B.Grabarczyk, P.E.Chappell, B.Eisel, S.Johnson, S.M.Lea, B.C.Berks. Mechanism of Thiosulfate Oxidation in the Soxa Family of Cysteine-Ligated Cytochromes J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X
DOI: 10.1074/JBC.M114.618025