PDBsum entry 1bo6

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Transferase PDB id
Protein chains
282 a.a. *
VO4-A3P ×2
Waters ×185
* Residue conservation analysis
PDB id:
Name: Transferase
Title: Estrogen sulfotransferase with inactive cofactor pap and vanadate
Structure: Estrogen sulfotransferase. Chain: a, b. Synonym: est. Engineered: yes
Source: Mus musculus. House mouse. Organism_taxid: 10090. Strain: c57bl-ksj-db-db. Organ: testis. Tissue: whole testis. Cellular_location: cytoplasm. Expressed in: escherichia coli. Expression_system_taxid: 562.
Biol. unit: Dimer (from PQS)
2.10Å     R-factor:   0.207     R-free:   0.249
Authors: Y.Kakuta,M.Negishi,L.C.Pedersen
Key ref: Y.Kakuta et al. (1997). Crystal structure of estrogen sulphotransferase. Nat Struct Biol, 4, 904-908. PubMed id: 9360604
10-Aug-98     Release date:   10-Aug-99    
Go to PROCHECK summary

Protein chains
Pfam   ArchSchema ?
P49891  (ST1E1_MOUSE) -  Estrogen sulfotransferase, testis isoform
295 a.a.
282 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.  - Estrone sulfotransferase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: 3'-phosphoadenylyl sulfate + estrone = adenosine 3',5'-bisphosphate + estrone 3-sulfate
3'-phosphoadenylyl sulfate
+ estrone
adenosine 3',5'-bisphosphate
Bound ligand (Het Group name = A3P)
corresponds exactly
+ estrone 3-sulfate
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     cytoplasm   1 term 
  Biological process     female pregnancy   3 terms 
  Biochemical function     lipid binding     7 terms  


Nat Struct Biol 4:904-908 (1997)
PubMed id: 9360604  
Crystal structure of estrogen sulphotransferase.
Y.Kakuta, L.G.Pedersen, C.W.Carter, M.Negishi, L.C.Pedersen.
The structure of estrogen sulphotransferase has been solved in the presence of inactive cofactor PAP and substrate 17 beta-estradiol. This structure reveals structural similarities between cytosolic sulphotransferases and nucleotide kinases.

Literature references that cite this PDB file's key reference

  PubMed id Reference
20462768 L.M.Danan, Z.Yu, P.J.Ludden, W.Jia, K.L.Moore, and J.A.Leary (2010).
Catalytic mechanism of Golgi-resident human tyrosylprotein sulfotransferase-2: a mass spectrometry approach.
  J Am Soc Mass Spectrom, 21, 1633-1642.  
19173308 B.Weitzner, T.Meehan, Q.Xu, and R.L.Dunbrack (2009).
An unusually small dimer interface is observed in all available crystal structures of cytosolic sulfotransferases.
  Proteins, 75, 289-295.  
19706609 E.Tyapochkin, P.F.Cook, and G.Chen (2009).
para-Nitrophenyl sulfate activation of human sulfotransferase 1A1 is consistent with intercepting the E[middle dot]PAP complex and reformation of E[middle dot]PAPS.
  J Biol Chem, 284, 29357-29364.  
19679676 Z.Riches, E.L.Stanley, J.C.Bloomer, and M.W.Coughtrie (2009).
Quantitative evaluation of the expression and activity of five major sulfotransferases (SULTs) in human tissues: the SULT "pie".
  Drug Metab Dispos, 37, 2255-2261.  
18817817 D.He, T.W.Wilborn, J.L.Falany, L.Li, and C.N.Falany (2008).
Repression of CFTR activity in human MMNK-1 cholangiocytes induces sulfotransferase 1E1 expression in co-cultured HepG2 hepatocytes.
  Biochim Biophys Acta, 1783, 2391-2397.  
18223645 D.Xu, A.F.Moon, D.Song, L.C.Pedersen, and J.Liu (2008).
Engineering sulfotransferases to modify heparan sulfate.
  Nat Chem Biol, 4, 200-202.
PDB code: 3bd9
18928301 E.Tyapochkin, P.F.Cook, and G.Chen (2008).
Isotope exchange at equilibrium indicates a steady state ordered kinetic mechanism for human sulfotransferase.
  Biochemistry, 47, 11894-11899.  
18487408 R.Kellmann, T.K.Mihali, Y.J.Jeon, R.Pickford, F.Pomati, and B.A.Neilan (2008).
Biosynthetic intermediate analysis and functional homology reveal a saxitoxin gene cluster in cyanobacteria.
  Appl Environ Microbiol, 74, 4044-4053.  
17227754 D.Xu, D.Song, L.C.Pedersen, and J.Liu (2007).
Mutational study of heparan sulfate 2-O-sulfotransferase and chondroitin sulfate 2-O-sulfotransferase.
  J Biol Chem, 282, 8356-8367.  
17329243 R.Shi, S.S.Lamb, S.Bhat, T.Sulea, G.D.Wright, A.Matte, and M.Cygler (2007).
Crystal structure of StaL, a glycopeptide antibiotic sulfotransferase from Streptomyces toyocaensis.
  J Biol Chem, 282, 13073-13086.
PDB codes: 2ov8 2ovb 2ovf
16804942 L.Dombrovski, A.Dong, A.Bochkarev, and A.N.Plotnikov (2006).
Crystal structures of human sulfotransferases SULT1B1 and SULT1C1 complexed with the cofactor product adenosine-3'- 5'-diphosphate (PAP).
  Proteins, 64, 1091-1094.
PDB codes: 1xv1 2etg 2z5f 3bfx
16899461 R.H.Hoff, P.G.Czyryca, M.Sun, T.S.Leyh, and A.C.Hengge (2006).
Transition state of the sulfuryl transfer reaction of estrogen sulfotransferase.
  J Biol Chem, 281, 30645-30649.  
15685171 M.H.Tong, H.Jiang, P.Liu, J.A.Lawson, L.F.Brass, and W.C.Song (2005).
Spontaneous fetal loss caused by placental thrombosis in estrogen sulfotransferase-deficient mice.
  Nat Med, 11, 153-159.  
16221673 N.U.Gamage, S.Tsvetanov, R.G.Duggleby, M.E.McManus, and J.L.Martin (2005).
The structure of human SULT1A1 crystallized with estradiol. An insight into active site plasticity and substrate inhibition with multi-ring substrates.
  J Biol Chem, 280, 41482-41486.
PDB code: 2d06
15838710 Q.C.Zheng, Z.S.Li, J.F.Xiao, M.Sun, Y.Zhang, and C.C.Sun (2005).
Homology modeling and PAPS ligand (cofactor) binding study of bovine phenol sulfotransferase.
  J Mol Model, 11, 97.  
14871892 A.C.Barnett, S.Tsvetanov, N.Gamage, J.L.Martin, R.G.Duggleby, and M.E.McManus (2004).
Active site mutations and substrate inhibition in human sulfotransferase 1A1 and 1A3.
  J Biol Chem, 279, 18799-18805.  
15317023 D.W.Smith, K.A.Johnson, C.A.Bingman, D.J.Aceti, P.G.Blommel, R.L.Wrobel, R.O.Frederick, Q.Zhao, H.Sreenath, B.G.Fox, B.F.Volkman, W.B.Jeon, C.S.Newman, E.L.Ulrich, A.D.Hegeman, T.Kimball, S.Thao, M.R.Sussman, J.L.Markley, and G.N.Phillips (2004).
Crystal structure of At2g03760, a putative steroid sulfotransferase from Arabidopsis thaliana.
  Proteins, 57, 854-857.
PDB code: 1q44
15258569 J.D.Mougous, C.J.Petzold, R.H.Senaratne, D.H.Lee, D.L.Akey, F.L.Lin, S.E.Munchel, M.R.Pratt, L.W.Riley, J.A.Leary, J.M.Berger, and C.R.Bertozzi (2004).
Identification, function and structure of the mycobacterial sulfotransferase that initiates sulfolipid-1 biosynthesis.
  Nat Struct Mol Biol, 11, 721-729.
PDB code: 1tex
14660620 K.Nogami, H.Suzuki, H.Habuchi, N.Ishiguro, H.Iwata, and K.Kimata (2004).
Distinctive expression patterns of heparan sulfate O-sulfotransferases and regional differences in heparan sulfate structure in chick limb buds.
  J Biol Chem, 279, 8219-8229.  
15044725 N.Pi, Y.Yu, J.D.Mougous, and J.A.Leary (2004).
Observation of a hybrid random ping-pong mechanism of catalysis for NodST: a mass spectrometry approach.
  Protein Sci, 13, 903-912.  
15167709 R.L.Blanchard, R.R.Freimuth, J.Buck, R.M.Weinshilboum, and M.W.Coughtrie (2004).
A proposed nomenclature system for the cytosolic sulfotransferase (SULT) superfamily.
  Pharmacogenetics, 14, 199-211.  
15060080 S.C.Edavettal, K.A.Lee, M.Negishi, R.J.Linhardt, J.Liu, and L.C.Pedersen (2004).
Crystal structure and mutational analysis of heparan sulfate 3-O-sulfotransferase isoform 1.
  J Biol Chem, 279, 25789-25797.
PDB codes: 1s6t 1vkj
15574316 V.L.Rath, D.Verdugo, and S.Hemmerich (2004).
Sulfotransferase structural biology and inhibitor discovery.
  Drug Discov Today, 9, 1003-1011.  
12922923 A.A.Adjei, B.A.Thomae, J.L.Prondzinski, B.W.Eckloff, E.D.Wieben, and R.M.Weinshilboum (2003).
Human estrogen sulfotransferase (SULT1E1) pharmacogenomics: gene resequencing and functional genomics.
  Br J Pharmacol, 139, 1373-1382.  
12547913 E.Chapman, M.C.Bryan, and C.H.Wong (2003).
Mechanistic studies of beta-arylsulfotransferase IV.
  Proc Natl Acad Sci U S A, 100, 910-915.  
12867416 G.Chen, and X.Chen (2003).
Arginine residues in the active site of human phenol sulfotransferase (SULT1A1).
  J Biol Chem, 278, 36358-36364.  
12923182 K.A.Lee, H.Fuda, Y.C.Lee, M.Negishi, C.A.Strott, and L.C.Pedersen (2003).
Crystal structure of human cholesterol sulfotransferase (SULT2B1b) in the presence of pregnenolone and 3'-phosphoadenosine 5'-phosphate. Rationale for specificity differences between prototypical SULT2A1 and the SULT2BG1 isoforms.
  J Biol Chem, 278, 44593-44599.
PDB codes: 1q1q 1q1z 1q20 1q22
14515987 M.A.Koch, R.Breinbauer, and H.Waldmann (2003).
Protein structure similarity as guiding principle for combinatorial library design.
  Biol Chem, 384, 1265-1272.  
12471039 N.U.Gamage, R.G.Duggleby, A.C.Barnett, M.Tresillian, C.F.Latham, N.E.Liyou, M.E.McManus, and J.L.Martin (2003).
Structure of a human carcinogen-converting enzyme, SULT1A1. Structural and kinetic implications of substrate inhibition.
  J Biol Chem, 278, 7655-7662.
PDB code: 1ls6
  12782487 S.Shevtsov, E.V.Petrotchenko, L.C.Pedersen, and M.Negishi (2003).
Crystallographic analysis of a hydroxylated polychlorinated biphenyl (OH-PCB) bound to the catalytic estrogen binding site of human estrogen sulfotransferase.
  Environ Health Perspect, 111, 884-888.
PDB code: 1g3m
12547421 V.Anantharaman, L.Aravind, and E.V.Koonin (2003).
Emergence of diverse biochemical activities in evolutionarily conserved structural scaffolds of proteins.
  Curr Opin Chem Biol, 7, 12-20.  
12081977 A.M.Southwick, L.X.Wang, S.R.Long, and Y.C.Lee (2002).
Activity of Sinorhizobium meliloti NodAB and NodH enzymes on thiochitooligosaccharides.
  J Bacteriol, 184, 4039-4043.  
12007634 E.Riley, R.Bolton-Grob, N.Liyou, C.Wong, M.Tresillian, and M.E.McManus (2002).
Isolation and characterisation of a novel rabbit sulfotransferase isoform belonging to the SULT1A subfamily.
  Int J Biochem Cell Biol, 34, 958-969.  
12145317 H.Fuda, Y.C.Lee, C.Shimizu, N.B.Javitt, and C.A.Strott (2002).
Mutational analysis of human hydroxysteroid sulfotransferase SULT2B1 isoforms reveals that exon 1B of the SULT2B1 gene produces cholesterol sulfotransferase, whereas exon 1A yields pregnenolone sulfotransferase.
  J Biol Chem, 277, 36161-36166.  
12144918 J.D.Mougous, R.E.Green, S.J.Williams, S.E.Brenner, and C.R.Bertozzi (2002).
Sulfotransferases and sulfatases in mycobacteria.
  Chem Biol, 9, 767-776.  
12369092 K.Honke, and N.Taniguchi (2002).
Sulfotransferases and sulfated oligosaccharides.
  Med Res Rev, 22, 637-654.  
11917099 K.Honke, Y.Hirahara, J.Dupree, K.Suzuki, B.Popko, K.Fukushima, J.Fukushima, T.Nagasawa, N.Yoshida, Y.Wada, and N.Taniguchi (2002).
Paranodal junction formation and spermatogenesis require sulfoglycolipids.
  Proc Natl Acad Sci U S A, 99, 4227-4232.  
11884392 L.C.Pedersen, E.Petrotchenko, S.Shevtsov, and M.Negishi (2002).
Crystal structure of the human estrogen sulfotransferase-PAPS complex: evidence for catalytic role of Ser137 in the sulfuryl transfer reaction.
  J Biol Chem, 277, 17928-17932.
PDB code: 1hy3
11284047 K.Yoshinari, E.V.Petrotchenko, L.C.Pedersen, and M.Negishi (2001).
Crystal structure-based studies of cytosolic sulfotransferase.
  J Biochem Mol Toxicol, 15, 67-75.  
  11585845 M.Fukuda, N.Hiraoka, T.O.Akama, and M.N.Fukuda (2001).
Carbohydrate-modifying sulfotransferases: structure, function, and pathophysiology.
  J Biol Chem, 276, 47747-47750.  
11157739 T.C.Ullrich, M.Blaesse, and R.Huber (2001).
Crystal structure of ATP sulfurylase from Saccharomyces cerevisiae, a key enzyme in sulfate activation.
  EMBO J, 20, 316-329.
PDB codes: 1g8f 1g8g 1g8h
11106599 A.Gorokhov, L.Perera, T.A.Darden, M.Negishi, L.C.Pedersen, and L.G.Pedersen (2000).
Heparan sulfate biosynthesis: a theoretical study of the initial sulfation step by N-deacetylase/N-sulfotransferase.
  Biophys J, 79, 2909-2917.  
11123927 G.Chen, P.A.Rabjohn, J.L.York, C.Wooldridge, D.Zhang, C.N.Falany, and A.Radominska-Pandya (2000).
Carboxyl residues in the active site of human phenol sulfotransferase (SULT1A1).
  Biochemistry, 39, 16000-16007.  
10644753 H.Habuchi, M.Tanaka, O.Habuchi, K.Yoshida, H.Suzuki, K.Ban, and K.Kimata (2000).
The occurrence of three isoforms of heparan sulfate 6-O-sulfotransferase having different specificities for hexuronic acid adjacent to the targeted N-sulfoglucosamine.
  J Biol Chem, 275, 2859-2868.  
10712936 J.W.Kehoe, and C.R.Bertozzi (2000).
Tyrosine sulfation: a modulator of extracellular protein-protein interactions.
  Chem Biol, 7, R57-R61.  
10836131 K.Nagata, and Y.Yamazoe (2000).
Pharmacogenetics of sulfotransferase.
  Annu Rev Pharmacol Toxicol, 40, 159-176.  
10788459 M.C.Liu, M.Suiko, and Y.Sakakibara (2000).
Mutational analysis of the substrate binding/catalytic domains of human M form and P form phenol sulfotransferases.
  J Biol Chem, 275, 13460-13464.  
10722746 S.Yamauchi, S.Mita, T.Matsubara, M.Fukuta, H.Habuchi, K.Kimata, and O.Habuchi (2000).
Molecular cloning and expression of chondroitin 4-sulfotransferase.
  J Biol Chem, 275, 8975-8981.  
10419461 B.C.Park, Y.C.Lee, and C.A.Strott (1999).
Identification by chimera formation and site-selected mutagenesis of a key amino acid residue involved in determining stereospecificity of guinea pig 3-hydroxysteroid sulfotransferase isoforms.
  J Biol Chem, 274, 21562-21568.  
10464296 E.Ong, J.C.Yeh, Y.Ding, O.Hindsgaul, L.C.Pedersen, M.Negishi, and M.Fukuda (1999).
Structure and function of HNK-1 sulfotransferase. Identification of donor and acceptor binding sites by site-directed mutagenesis.
  J Biol Chem, 274, 25608-25612.  
10514486 E.V.Petrotchenko, M.E.Doerflein, Y.Kakuta, L.C.Pedersen, and M.Negishi (1999).
Substrate gating confers steroid specificity to estrogen sulfotransferase.
  J Biol Chem, 274, 30019-30022.  
10194320 F.Marsolais, M.Laviolette, Y.Kakuta, M.Negishi, L.C.Pedersen, M.Auger, and L.Varin (1999).
3'-Phosphoadenosine 5'-phosphosulfate binding site of flavonol 3-sulfotransferase studied by affinity chromatography and 31P NMR.
  Biochemistry, 38, 4066-4071.  
  10548061 G.Chen, E.Battaglia, C.Senay, C.N.Falany, and A.Radominska-Pandya (1999).
Photoaffinity labeling probe for the substrate binding site of human phenol sulfotransferase (SULT1A1): 7-azido-4-methylcoumarin.
  Protein Sci, 8, 2151-2157.  
9889154 K.G.Bowman, and C.R.Bertozzi (1999).
Carbohydrate sulfotransferases: mediators of extracellular communication.
  Chem Biol, 6, R9.  
10187838 M.Kobayashi, G.Sugumaran, J.Liu, N.W.Shworak, J.E.Silbert, and R.D.Rosenberg (1999).
Molecular cloning and characterization of a human uronyl 2-sulfotransferase that sulfates iduronyl and glucuronyl residues in dermatan/chondroitin sulfate.
  J Biol Chem, 274, 10474-10480.  
10409637 M.Rouleau, F.Marsolais, M.Richard, L.Nicolle, B.Voigt, G.Adam, and L.Varin (1999).
Inactivation of brassinosteroid biological activity by a salicylate-inducible steroid sulfotransferase from Brassica napus.
  J Biol Chem, 274, 20925-20930.  
9988767 N.W.Shworak, J.Liu, L.M.Petros, L.Zhang, M.Kobayashi, N.G.Copeland, N.A.Jenkins, and R.D.Rosenberg (1999).
Multiple isoforms of heparan sulfate D-glucosaminyl 3-O-sulfotransferase. Isolation, characterization, and expression of human cdnas and identification of distinct genomic loci.
  J Biol Chem, 274, 5170-5184.  
10099128 P.J.O'Brien, and D.Herschlag (1999).
Catalytic promiscuity and the evolution of new enzymatic activities.
  Chem Biol, 6, R91.  
10608851 R.Dajani, A.Cleasby, M.Neu, A.J.Wonacott, H.Jhoti, A.M.Hood, S.Modi, A.Hersey, J.Taskinen, R.M.Cooke, G.R.Manchee, and M.W.Coughtrie (1999).
X-ray crystal structure of human dopamine sulfotransferase, SULT1A3. Molecular modeling and quantitative structure-activity relationship analysis demonstrate a molecular basis for sulfotransferase substrate specificity.
  J Biol Chem, 274, 37862-37868.  
10196134 Y.Kakuta, T.Sueyoshi, M.Negishi, and L.C.Pedersen (1999).
Crystal structure of the sulfotransferase domain of human heparan sulfate N-deacetylase/ N-sulfotransferase 1.
  J Biol Chem, 274, 10673-10676.
PDB code: 1nst
9786875 B.Schneider, Y.W.Xu, J.Janin, M.Véron, and D.Deville-Bonne (1998).
3'-Phosphorylated nucleotides are tight binding inhibitors of nucleoside diphosphate kinase activity.
  J Biol Chem, 273, 28773-28778.
PDB code: 1bux
9548738 D.H.Harrison, J.A.Runquist, A.Holub, and H.M.Miziorko (1998).
The crystal structure of phosphoribulokinase from Rhodobacter sphaeroides reveals a fold similar to that of adenylate kinase.
  Biochemistry, 37, 5074-5085.
PDB code: 1a7j
9857081 E.Vakiani, J.G.Luz, and J.Buck (1998).
Substrate specificity and kinetic mechanism of the insect sulfotransferase, retinol dehydratase.
  J Biol Chem, 273, 35381-35387.  
9556564 H.Zhang, O.Varlamova, F.M.Vargas, C.N.Falany, T.S.Leyh, and O.Varmalova (1998).
Sulfuryl transfer: the catalytic mechanism of human estrogen sulfotransferase.
  J Biol Chem, 273, 10888-10892.  
9748218 P.Berninsone, and C.B.Hirschberg (1998).
Heparan sulfate/heparin N-deacetylase/N-sulfotransferase. The N-sulfotransferase activity domain is at the carboxyl half of the holoenzyme.
  J Biol Chem, 273, 25556-25559.  
9733778 Y.B.Ouyang, and K.L.Moore (1998).
Molecular cloning and expression of human and mouse tyrosylprotein sulfotransferase-2 and a tyrosylprotein sulfotransferase homologue in Caenorhabditis elegans.
  J Biol Chem, 273, 24770-24774.  
9765259 Y.Kakuta, E.V.Petrotchenko, L.C.Pedersen, and M.Negishi (1998).
The sulfuryl transfer mechanism. Crystal structure of a vanadate complex of estrogen sulfotransferase and mutational analysis.
  J Biol Chem, 273, 27325-27330.
PDB code: 1bo6
9584614 Y.Kakuta, L.G.Pedersen, L.C.Pedersen, and M.Negishi (1998).
Conserved structural motifs in the sulfotransferase family.
  Trends Biochem Sci, 23, 129-130.  
9501187 Y.Ouyang, W.S.Lane, and K.L.Moore (1998).
Tyrosylprotein sulfotransferase: purification and molecular cloning of an enzyme that catalyzes tyrosine O-sulfation, a common posttranslational modification of eukaryotic proteins.
  Proc Natl Acad Sci U S A, 95, 2896-2901.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time. Where a reference describes a PDB structure, the PDB code is shown on the right.