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

Enzymatic activity of 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;

Protein crystallography data

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

Vanadium Binding Sites:

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 1bo6

Go back to Vanadium Binding Sites List in 1bo6
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 1bo6

Go back to Vanadium Binding Sites List in 1bo6
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

Reference:

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
Page generated: Wed Dec 16 02:30:06 2020

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