Vanadium in PDB 1bo6: Estrogen Sulfotransferase with Inactive Cofactor Pap and Vanadate

All present enzymatic activity of Estrogen Sulfotransferase with Inactive Cofactor Pap and Vanadate:
2.8.2.4;

The structure of Estrogen Sulfotransferase with Inactive Cofactor Pap and Vanadate, PDB code: 1bo6 was solved by Y.Kakuta, M.Negishi, L.C.Pedersen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	96.292, 78.909, 80.362, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 24.9

The binding sites of Vanadium atom in the Estrogen Sulfotransferase with Inactive Cofactor Pap and Vanadate (pdb code 1bo6). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total 2 binding sites of Vanadium where determined in the Estrogen Sulfotransferase with Inactive Cofactor Pap and Vanadate, PDB code: 1bo6:
Jump to Vanadium binding site number: 1; 2;

Vanadium binding site 1 out of 2 in the Estrogen Sulfotransferase with Inactive Cofactor Pap and Vanadate


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of Estrogen Sulfotransferase with Inactive Cofactor Pap and Vanadate within 5.0Å range: probe atom residue distance (Å) B Occ A:V302 b:40.5 occ:1.00 V A:VO4302 0.0 40.5 1.0 O1 A:VO4302 1.7 31.5 1.0 O2 A:VO4302 1.7 35.6 1.0 O3 A:VO4302 1.7 37.2 1.0 O6P A:A3P301 2.1 27.8 1.0 O4 A:VO4302 2.3 27.4 1.0 P2 A:A3P301 3.3 14.5 1.0 O5P A:A3P301 3.5 11.2 1.0 NE2 A:HIS108 3.7 14.6 1.0 O4P A:A3P301 4.0 14.7 1.0 NZ A:LYS106 4.0 15.6 1.0 CE1 A:HIS108 4.0 14.4 1.0 NZ A:LYS48 4.0 15.1 1.0 OG1 A:THR51 4.1 18.2 1.0 CD A:LYS48 4.1 11.2 1.0 N A:LYS48 4.3 12.9 1.0 CZ A:PHE255 4.3 18.1 1.0 CE1 A:PHE255 4.5 18.6 1.0 O5' A:A3P301 4.5 13.4 1.0 CB A:THR51 4.7 10.6 1.0 CE A:LYS48 4.7 16.9 1.0 CE A:LYS106 4.7 9.9 1.0 O A:HOH394 4.8 31.1 1.0 CA A:LYS48 4.9 11.4 1.0 CD2 A:HIS108 4.9 8.2 1.0

Vanadium binding site 2 out of 2 in the Estrogen Sulfotransferase with Inactive Cofactor Pap and Vanadate


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 2 of Estrogen Sulfotransferase with Inactive Cofactor Pap and Vanadate within 5.0Å range: probe atom residue distance (Å) B Occ B:V304 b:38.3 occ:1.00 V B:VO4304 0.0 38.3 1.0 O2 B:VO4304 1.7 29.0 1.0 O1 B:VO4304 1.7 29.1 1.0 O3 B:VO4304 1.7 35.9 1.0 O6P B:A3P303 2.1 26.9 1.0 O4 B:VO4304 2.3 26.7 1.0 P2 B:A3P303 3.3 20.0 1.0 O5P B:A3P303 3.6 21.9 1.0 NE2 B:HIS108 3.6 16.5 1.0 NZ B:LYS106 4.0 18.4 1.0 CE1 B:HIS108 4.0 15.3 1.0 NZ B:LYS48 4.0 19.1 1.0 O4P B:A3P303 4.0 10.7 1.0 CD B:LYS48 4.1 14.0 1.0 N B:LYS48 4.2 12.7 1.0 OG1 B:THR51 4.2 13.4 1.0 CZ B:PHE255 4.3 19.8 1.0 O5' B:A3P303 4.5 21.0 1.0 CE1 B:PHE255 4.5 21.6 1.0 CE B:LYS48 4.7 17.3 1.0 CE B:LYS106 4.7 22.1 1.0 CB B:THR51 4.8 11.0 1.0 CD2 B:HIS108 4.8 13.2 1.0 CA B:LYS48 4.9 15.0 1.0 CA B:PRO47 5.0 15.7 1.0 O B:HOH389 5.0 47.5 1.0

Y.Kakuta, E.V.Petrotchenko, L.C.Pedersen, M.Negishi. The Sulfuryl Transfer Mechanism. Crystal Structure of A Vanadate Complex of Estrogen Sulfotransferase and Mutational Analysis. J.Biol.Chem. V. 273 27325 1998.
ISSN: ISSN 0021-9258
PubMed: 9765259
DOI: 10.1074/JBC.273.42.27325