Manganese in PDB 2wdf: Termus Thermophilus Sulfate Thiohydrolase Soxb

All present enzymatic activity of Termus Thermophilus Sulfate Thiohydrolase Soxb:
3.12.2.1;

The structure of Termus Thermophilus Sulfate Thiohydrolase Soxb, PDB code: 2wdf was solved by V.Sauve, P.Roversi, K.J.Leath, E.F.Garman, R.Antrobus, 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)	64.15 / 2.08
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.363, 86.710, 95.133, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 22.8

The binding sites of Manganese atom in the Termus Thermophilus Sulfate Thiohydrolase Soxb (pdb code 2wdf). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Termus Thermophilus Sulfate Thiohydrolase Soxb, PDB code: 2wdf:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Termus Thermophilus Sulfate Thiohydrolase Soxb


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Termus Thermophilus Sulfate Thiohydrolase Soxb within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1575 b:13.7 occ:1.00 O A:HOH2336 2.0 9.9 1.0 OD1 A:ASP47 2.1 14.3 1.0 OD2 A:ASP143 2.3 16.0 1.0 NE2 A:HIS49 2.3 13.4 1.0 NE2 A:HIS299 2.3 12.1 1.0 CG A:ASP47 3.2 14.1 1.0 CG A:ASP143 3.2 16.0 1.0 CD2 A:HIS49 3.3 14.0 1.0 CE1 A:HIS49 3.3 13.6 1.0 CD2 A:HIS299 3.3 13.0 1.0 CE1 A:HIS299 3.3 11.8 1.0 MN A:MN1576 3.3 16.4 1.0 CB A:ASP143 3.5 15.0 1.0 CB A:ASP47 3.6 10.6 1.0 O A:HOH2121 3.8 23.8 1.0 O A:HIS297 4.1 13.2 1.0 OD2 A:ASP47 4.2 12.8 1.0 OD1 A:ASP143 4.4 17.4 1.0 CA A:ASP47 4.4 10.2 1.0 ND1 A:HIS49 4.4 14.6 1.0 NE2 A:HIS274 4.4 11.8 1.0 ND1 A:HIS299 4.4 11.9 1.0 CG A:HIS49 4.4 13.3 1.0 CG A:HIS299 4.5 11.1 1.0 CE1 A:HIS274 4.5 11.4 1.0 CA A:HIS297 4.5 9.1 1.0 C A:HIS297 4.7 13.0 1.0 CD1 A:TRP175 4.7 15.7 1.0 CD1 A:TRP417 4.9 14.0 1.0 ND1 A:HIS297 5.0 11.8 1.0 CA A:ASP143 5.0 14.1 1.0

Manganese binding site 2 out of 2 in the Termus Thermophilus Sulfate Thiohydrolase Soxb


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Termus Thermophilus Sulfate Thiohydrolase Soxb within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1576 b:16.4 occ:1.00 O A:HOH2336 2.2 9.9 1.0 NE2 A:HIS274 2.2 11.8 1.0 ND1 A:HIS174 2.2 18.3 1.0 OD2 A:ASP143 2.2 16.0 1.0 ND1 A:HIS297 2.4 11.8 1.0 CE1 A:HIS174 3.1 17.5 1.0 CD2 A:HIS274 3.2 12.4 1.0 CG A:ASP143 3.2 16.0 1.0 CE1 A:HIS274 3.2 11.4 1.0 CE1 A:HIS297 3.2 11.4 1.0 CG A:HIS174 3.3 17.0 1.0 MN A:MN1575 3.3 13.7 1.0 CG A:HIS297 3.5 11.1 1.0 OD1 A:ASP143 3.6 17.4 1.0 CB A:HIS174 3.6 14.3 1.0 O A:HOH2121 3.6 23.8 1.0 CA A:HIS297 3.7 9.1 1.0 OD1 A:ASP47 3.8 14.3 1.0 CB A:HIS297 3.8 9.2 1.0 CD1 A:TRP175 4.1 15.7 1.0 O A:HIS297 4.2 13.2 1.0 NE2 A:HIS174 4.3 17.8 1.0 ND1 A:HIS274 4.3 12.2 1.0 CG A:HIS274 4.3 12.2 1.0 CD2 A:HIS174 4.4 18.2 1.0 NE1 A:TRP175 4.4 15.1 1.0 CB A:ASP143 4.4 15.0 1.0 NE2 A:HIS297 4.4 11.3 1.0 C A:HIS297 4.5 13.0 1.0 CD2 A:HIS297 4.5 11.5 1.0 N A:HIS297 4.6 10.6 1.0 CG A:ASP47 5.0 14.1 1.0

V.Sauve, P.Roversi, K.J.Leath, E.F.Garman, R.Antrobus, S.M.Lea, B.C.Berks. Mechanism For the Hydrolysis of A Sulfur-Sulfur Bond Based on the Crystal Structure of the Thiosulfohydrolase Soxb. J.Biol.Chem. V. 284 21707 2009.
ISSN: ISSN 0021-9258
PubMed: 19535341
DOI: 10.1074/JBC.M109.002709