1BO6

ESTROGEN SULFOTRANSFERASE WITH INACTIVE COFACTOR PAP AND VANADATE

Summary for 1BO6

• Entry DOI: 10.2210/pdb1bo6/pdb
• Descriptor: ESTROGEN SULFOTRANSFERASE, VANADATE ION, ADENOSINE-3'-5'-DIPHOSPHATE, ... (4 entities in total)
• Functional Keywords: transferase, pap, sulfotransferase, sulfonation, vanadate
• Biological source: Mus musculus (house mouse)
• Cellular location: Cytoplasm: P49891
• Total number of polymer chains: 2
• Total formula weight: 72652.97

Authors

Kakuta, Y.,Negishi, M.,Pedersen, L.C. (deposition date: 1998-08-10, release date: 1999-08-10, Last modification date: 2024-02-07)

Primary citation

Kakuta, Y.,Petrotchenko, E.V.,Pedersen, L.C.,Negishi, M.
The sulfuryl transfer mechanism. Crystal structure of a vanadate complex of estrogen sulfotransferase and mutational analysis.
J.Biol.Chem., 273:27325-27330, 1998

PubMed Abstract: Estrogen sulfotransferase (EST) catalyzes transfer of the 5'-sulfuryl group of adenosine 3'-phosphate 5'-phosphosulfate (PAPS) to the 3alpha-phenol group of estrogenic steroids such as estradiol (E2). The recent crystal structure of EST-adenosine 3', 5'-diphosphate (PAP)- E2 complex has revealed that residues Lys48, Thr45, Thr51, Thr52, Lys106, His108, and Try240 are in position to play a catalytic role in the sulfuryl transfer reaction of EST (Kakuta Y., Pedersen, L. G., Carter, C. W., Negishi, M., and Pedersen, L. C. (1997) Nat. Struct. Biol. 4, 904-908). Mutation of Lys48, Lys106, or His108 nearly abolishes EST activity, indicating that they play a critical role in catalysis. A present 2.2-A resolution structure of EST-PAP-vanadate complex indicates that the vanadate molecule adopts a trigonal bipyramidal geometry with its equatorial oxygens coordinated to these three residues. The apical positions of the vanadate molecule are occupied by a terminal oxygen of the 5'-phosphate of PAP (2.1 A) and a possible water molecule (2. 3 A). This water molecule superimposes well to the 3alpha-phenol group of E2 in the crystal structure of the EST.PAP.E2 complex. These structures are characteristic of the transition state for an in-line sulfuryl transfer reaction from PAPS to E2. Moreover, residues Lys48, Lys106, and His108 are found to be coordinated with the vanadate molecule at the transition state of EST.

PubMed: 9765259
DOI: 10.1074/jbc.273.42.27325

Experimental method

X-RAY DIFFRACTION (2.1 Å)