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Showing drug card for 3-Beta-Hydroxy-5-Androsten-17-One (DB01708)

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Version 2.5
Creation Date 2005-06-13 13:24:05
Update Date 2008-08-26 15:31:05
Primary Accession Number DB01708
Secondary Accession Number
  • EXPT00519
Name 3-Beta-Hydroxy-5-Androsten-17-One
Drug Type
  • Experimental
  • Small Molecule
Description A major C19 steroid produced by the adrenal cortex. It is also produced in small quantities in the testis and the ovary. Dehydroepiandrosterone (DHEA) can be converted to testosterone; androstenedione; estradiol; and estrone. Most of DHEA is sulfated (dehydroepiandrosterone sulfate) before secretion. [PubChem]
Synonyms Not Available
Brand Names Not Available
Brand Mixtures Not Available
Chemical IUPAC Name (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Chemical Formula C19H28O2
Chemical Structure Structure
CAS Registry Number 53-43-0
InChI Identifier InChI=1/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3
InChI Key FMGSKLZLMKYGDP-UHFFFAOYAP
KEGG Drug Not Available
KEGG Compound C01227 Link Image
PubChem Compound 5881 Link Image
PubChem Substance 4449 Link Image
ChEBI ID 28689 Link Image
PharmGKB ID Not Available
HET ID AND Link Image
GenBank ID Not Available
Drug ID Number [DIN] Not Available
RxList Link Not Available
PDRhealth Link Not Available
Wikipedia Link Not Available
FDA Label Not Available
Material Safety Data Sheet (MSDS) Not Available
Synthesis Reference Not Available
Average Molecular Weight 288.4244
Monoisotopic Molecular Weight 288.2089
State Solid
Melting Point 140-141 oC
Experimental Water Solubility 0.0635 mg/mL at 25 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] Source: PhysProp
Predicted Water Solubility 4.38e-02 mg/mL Calculated using ALOGPS
Experimental LogP/Hydrophobicity 3.23 [HANSCH,C ET AL. (1995)] Source: PhysProp
Predicted LogP 3.53 Calculated using ALOGPS
Experimental LogS Not Available
Predicted LogS -3.82 Calculated using ALOGPS
Experimental Caco2 Permeability Not Available
pKa/Isoelectric Point Not Available
Mass Spectrum Not Available
MOL File Show Link Image | Download Link Image
SDF File Show Link Image | Download Link Image
PDB File Show Link Image | Download Link Image
2D Structure
3D Structure
Experimental PDB ID 1E3R Link Image
Experimental PDB File Show
Experimental PDB Structure
Isomeric SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
Canonical SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
Drug Category
  • Adjuvants, Immunologic
ATC Codes Not Available
AHFS Codes Not Available
Indication Not Available
Pharmacology Not Available
Mechanism of Action Not Available
Absorption Not Available
Toxicity Not Available
Protein Binding Not Available
Biotransformation Not Available
Half Life Not Available
Dosage Forms Not Available
Patient Information Not Available
Contraindications Not Available
Interactions Not Available
Drug Interactions Not Available
Food Interactions Not Available
Pathways Not Available
General References Not Available
Organisms Affected Not Available
Targets
  1. Estradiol 17-beta-dehydrogenase 1
  2. Bile salt sulfotransferase
  3. Cholesterol oxidase
  4. Steroid Delta-isomerase
  5. Sulfotransferase family cytosolic 2B member 1
Drug Target 1 [top]
Target 1 ID 217
Target 1 Name Estradiol 17-beta-dehydrogenase 1
Target 1 Synonyms
  1. 17-beta- hydroxysteroid dehydrogenase type 1
  2. 17-beta-HSD 1
  3. 20 alpha-hydroxysteroid dehydrogenase
  4. 20-alpha-HSD
  5. E2DH
  6. EC 1.1.1.62
  7. Placental 17- beta-hydroxysteroid dehydrogenase
Target 1 Gene Name HSD17B1
Target 1 Protein Sequence >Estradiol 17-beta-dehydrogenase 1 
ARTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPGSLE
TLQLDVRDSKSVAAARERVTEGRVDVLVCNAGLGLLGPLEALGEDAVASVLDVNVVGTVR
MLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVHL
SLIECGPVHTAFMEKVLGSPEEVLDRTDIHTFHRFYQYLAHSKQVFREAAQNPEEVAEVF
LTALRAPKPTLRYFTTERFLPLLRMRLDDPSGSNYVTAMHREVFGDVPAKAEAGAEAGGG
AGPGAEDEAGRSAVGDPELGDPPAAPQ
Target 1 Number of Residues 332
Target 1 Molecular Weight 34849
Target 1 Theoretical pI 5.42
Target 1 GO Classification
Function
catalytic activity
oxidoreductase activity
oxidoreductase activity, acting on CH-OH group of donors
oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
steroid dehydrogenase activity
estradiol 17-beta-dehydrogenase activity
Process
physiological process
metabolism
primary metabolism
lipid metabolism
cellular lipid metabolism
steroid metabolism
steroid biosynthesis
estrogen biosynthesis
Component
cell
intracellular
cytoplasm
Target 1 General Function Lipid transport and metabolism
Target 1 Specific Function Favors the reduction of estrogens and androgens. Also has 20-alpha-HSD activity. Uses preferentially NADH
Target 1 Pathways
Name SMPDB Link KEGG Link
Androgen and estrogen metabolism SMP00068 Link Image map00150 Link Image
Target 1 Reactions
  • estradiol-17beta + NAD(P)+ = estrone + NAD(P)H + H+
Target 1 Pfam Domain Function
Target 1 Signals
  • None
Target 1 Transmembrane Regions
  • None
Target 1 Essentiality Non-Essential
Target 1 GenBank ID Protein 23365 Link Image
Target 1 UniProtKB/Swiss-Prot ID P14061 Link Image
Target 1 UniProtKB/Swiss-Prot Entry Name DHB1_HUMAN Link Image
Target 1 PDB ID 1QYX Link Image
Target 1 PDB File Show
Target 1 3D Structure
Target 1 Cellular Location
  • Cytoplasm
Target 1 Gene Sequence >987 bp 
ATGGCCCGCACCGTGGTGCTCATCACCGGCTGTTCCTCGGGCATCGGCCTGCACTTGGCC
GTACGTCTGGCTTCAGATCCATCCCAGAGCTTCAAAGTGTATGCCACGTTGAGGGACCTG
AAAACACAGGGCCGGCTGTGGGAGGCGGCCCGGGCCCTGGCATGCCCTCCGGGATCCCTG
GAGACGTTGCAGCTGGACGTAAGGGACTCAAAATCCGTGGCCGCTGCCCGGGAACGCGTG
ACTGAGGGCCGCGTGGACGTGCTGGTGTGTAACGCAGGCCTGGGCCTGCTGGGGCCGCTG
GAGGCGCTGGGGGAGGACGCCGTGGCCTCTGTGCTGGACGTGAATGTAGTAGGGACTGTG
CGGATGCTGCAGGCCTTCCTGCCAGACATGAAGAGGCGCGGTTCGGGACGCGTGTTGGTG
ACCGGGAGCGTGGGAGGATTGATGGGGCTGCCTTTCAATGACGTTTATTGCGCCAGCAAG
TTCGCGCTCGAAGGCTTATGCGAGAGTCTGGCGGTTCTGCTGCTGCCCTTTGGGGTCCAC
TTGAGCCTGATCGAGTGCGGCCCAGTGCACACCGCCTTCATGGAGAAGGTGTTGGGCAGC
CCAGAGGAGGTGCTGGACCGCACGGACATCCACACCTTCCACCGCTTCTACCAATACCTC
GCCCACAGCAAGCAAGTCTTTCGCGAGGCGGCGCAGAACCCTGAGGAGGTGGCGGAGGTC
TTCCTCACCGCTTTGCGCGCCCCGAAGCCGACCCTGCGCTACTTCACCACCGAGCGCTTC
CTGCCCCTGCTGCGGATGCGCCTGGACGACCCCAGCGGCTCCAACTACGTCACCGCCATG
CACCGGGAAGTGTTCGGCGACGTTCCGGCAAAGGCCGAGGCTGGGGCCGAGGCTGGGGGC
GGGGCCGGGCCTGGGGCAGAGGACGAGGCCGGGCGCAGTGCGGTGGGGGACCCTGAGCTC
GGCGATCCTCCGGCCGCCCCGCAGTAA
Target 1 GenBank Gene ID
Target 1 GeneCard ID HSD17B1 Link Image
Target 1 GenAtlas ID HSD17B1 Link Image
Target 1 HGNC ID HGNC:5210 Link Image
Target 1 Chromosome Location 17
Target 1 Locus 17q11-q21
Target 1 SNPs SNPJam Report Link Image
Target 1 General References
  1. Han Q, Campbell RL, Gangloff A, Huang YW, Lin SX: Dehydroepiandrosterone and dihydrotestosterone recognition by human estrogenic 17beta-hydroxysteroid dehydrogenase. C-18/c-19 steroid discrimination and enzyme-induced strain. J Biol Chem. 2000 Jan 14;275(2):1105-11. [PubMed Link Image]
  2. Peltoketo H, Isomaa V, Vihko R: Genomic organization and DNA sequences of human 17 beta-hydroxysteroid dehydrogenase genes and flanking regions. Localization of multiple Alu sequences and putative cis-acting elements. Eur J Biochem. 1992 Oct 1;209(1):459-66. [PubMed Link Image]
  3. Luu-The V, Labrie C, Zhao HF, Couet J, Lachance Y, Simard J, Cote J, Leblanc G, Lagace L, Berube D, et al.: Purification, cloning, complementary DNA structure, and predicted amino acid sequence of human estradiol 17 beta-dehydrogenase. Ann N Y Acad Sci. 1990;595:40-52. [PubMed Link Image]
  4. Luu-The V, Labrie C, Simard J, Lachance Y, Zhao HF, Couet J, Leblanc G, Labrie F: Structure of two in tandem human 17 beta-hydroxysteroid dehydrogenase genes. Mol Endocrinol. 1990 Feb;4(2):268-75. [PubMed Link Image]
  5. Baker ME: Human placental 17 beta-hydroxysteroid dehydrogenase is homologous to NodG protein of Rhizobium meliloti. Mol Endocrinol. 1989 May;3(5):881-4. [PubMed Link Image]
  6. Luu The V, Labrie C, Zhao HF, Couet J, Lachance Y, Simard J, Leblanc G, Cote J, Berube D, Gagne R, et al.: Characterization of cDNAs for human estradiol 17 beta-dehydrogenase and assignment of the gene to chromosome 17: evidence of two mRNA species with distinct 5'-termini in human placenta. Mol Endocrinol. 1989 Aug;3(8):1301-9. [PubMed Link Image]
  7. Peltoketo H, Isomaa V, Maentausta O, Vihko R: Complete amino acid sequence of human placental 17 beta-hydroxysteroid dehydrogenase deduced from cDNA. FEBS Lett. 1988 Oct 24;239(1):73-7. [PubMed Link Image]
  8. Galdes A, Auld DS, Vallee BL: Elucidation of the chemical nature of the steady-state intermediates in the mechanism of carboxypeptidase A. Biochemistry. 1986 Feb 11;25(3):646-51. [PubMed Link Image]
  9. Nicolas JC, Harris JI: Human placental 17 -oestradiol dehydrogenase. Sequence of a tryptic peptide containing an essential cysteine. FEBS Lett. 1973 Jan 15;29(2):173-6. [PubMed Link Image]
  10. Burns DJ, Engel LL, Bethune JL: Amino acid composition and subunit structure. Human placental 17 -estradiol dehydrogenase. Biochemistry. 1972 Jul 4;11(14):2699-703. [PubMed Link Image]
  11. 6578212 Murdock GL, Chin CC, Offord RE, Bradshaw RA, Warren JC: Human placental estradiol 17 beta-dehydrogenase. Identification of a single histidine residue affinity-labeled by both 3-bromoacetoxyestrone and 12 beta-bromoacetoxy-4-estrene-3,17-dione. J Biol Chem. 1983 Oct 10;258(19):11460-4.
  12. 7663947 Ghosh D, Pletnev VZ, Zhu DW, Wawrzak Z, Duax WL, Pangborn W, Labrie F, Lin SX: Structure of human estrogenic 17 beta-hydroxysteroid dehydrogenase at 2.20 A resolution. Structure. 1995 May 15;3(5):503-13.
  13. 8389226 Normand T, Narod S, Labrie F, Simard J: Detection of polymorphisms in the estradiol 17 beta-hydroxysteroid dehydrogenase II gene at the EDH17B2 locus on 17q11-q21. Hum Mol Genet. 1993 Apr;2(4):479-83.
  14. 8805577 Breton R, Housset D, Mazza C, Fontecilla-Camps JC: The structure of a complex of human 17beta-hydroxysteroid dehydrogenase with estradiol and NADP+ identifies two principal targets for the design of inhibitors. Structure. 1996 Aug 15;4(8):905-15.
  15. 9525918 Mazza C, Breton R, Housset D, Fontecilla-Camps JC: Unusual charge stabilization of NADP+ in 17beta-hydroxysteroid dehydrogenase. J Biol Chem. 1998 Apr 3;273(14):8145-52.
Target 1 Drug References
  1. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed Link Image]
  2. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed Link Image]
Drug Target 2 [top]
Target 2 ID 1050
Target 2 Name Bile salt sulfotransferase
Target 2 Synonyms
  1. DHEA-ST
  2. Dehydroepiandrosterone sulfotransferase
  3. EC 2.8.2.14
  4. HST
  5. Hydroxysteroid Sulfotransferase
  6. ST2
  7. ST2A3
Target 2 Gene Name SULT2A1
Target 2 Protein Sequence >Bile salt sulfotransferase 
MSDDFLWFEGIAFPTMGFRSETLRKVRDEFVIRDEDVIILTYPKSGTNWLAEILCLMHSK
GDAKWIQSVPIWERSPWVESEIGYTALSETESPRLFSSHLPIQLFPKSFFSSKAKVIYLM
RNPRDVLVSGYFFWKNMKFIKKPKSWEEYFEWFCQGTVLYGSWFDHIHGWMPMREEKNFL
LLSYEELKQDTGRTIEKICQFLGKTLEPEELNLILKNSSFQSMKENKMSNYSLLSVDYVV
DKAQLLRKGVSGDWKNHFTVAQAEDFDKLFQEKMADLPRELFPWE
Target 2 Number of Residues 289
Target 2 Molecular Weight 33780
Target 2 Theoretical pI 5.76
Target 2 GO Classification
Function
catalytic activity
transferase activity
transferase activity, transferring sulfur-containing groups
sulfotransferase activity
Process
Not Available
Component
Not Available
Target 2 General Function Involved in sulfotransferase activity
Target 2 Specific Function Catalyzes the sulfation of steroids and bile acids in the liver and adrenal glands
Target 2 Pathways Not Available
Target 2 Reactions
  • (1) 3'-phosphoadenylyl sulfate + glycolithocholate = adenosine 3',5'-bisphosphate + glycolithocholate 3-sulfate
Target 2 Pfam Domain Function
Target 2 Signals
  • None
Target 2 Transmembrane Regions
  • None
Target 2 Essentiality Non-Essential
Target 2 GenBank ID Protein 306702 Link Image
Target 2 UniProtKB/Swiss-Prot ID Q06520 Link Image
Target 2 UniProtKB/Swiss-Prot Entry Name ST2A1_HUMAN Link Image
Target 2 PDB ID 1OV4 Link Image
Target 2 PDB File Show
Target 2 3D Structure
Target 2 Cellular Location
  • Cytoplasm
Target 2 Gene Sequence >858 bp 
ATGTCGGACGATTTCTTATGGTTTGAAGGCATAGCTTTCCCTACTATGGGTTTCAGATCC
GAAACCTTAAGAAAAGTACGTGATGAGTTCGTGATAAGGGATGAAGATGTAATAATATTG
ACTTACCCCAAATCAGGAACAAACTGGTTGGCTGAGATTCTCTGCCTGATGCACTCCAAG
GGGGATGCCAAGTGGATCCAATCTGTGCCCATCTGGGAGCGATCACCCTGGGTAGAGAGT
GAGATTGGGTATACAGCACTCAGTGAAAGCGAGAGTCCACGTTTATTCTCCTCCCACCTC
CCCATCCAGTTATTCCCCAAGTCTTTCTTCAGTTCCAAGGCCAAGGTGATTTATCTCATG
AGAAATCCCAGAGATGTTTTGGTGTCTGGTTATTTTTTCTGGAAAAACATGAAGTTTATT
AAGAAACCAAAGTCATGGGAAGAATATTTTGAATGGTTTTGTCAAGGAACTGTGCTATAT
GGGTCATGGTTTGACCACATTCATGGCTGGATGCCCATGAGAGAGGAGAAAAACTTCCTG
TTACTGAGTTATGAGGAGCTGAAACAGGACACAGGAAGAACCATAGAGAAGATCTGTCAA
TTCCTGGGAAAGACGTTAGAACCCGAAGAACTGAACTTAATTCTCAAGAACAGCTCCTTT
CAGAGCATGAAAGAAAACAAGATGTCCAATTATTCCCTCCTGAGTGTTGATTATGTAGTG
GACAAAGCACAACTTCTGAGAAAAGGTGTATCTGGGGACTGGAAAAATCACTTCACAGTG
GCCCAAGCTGAAGACTTTGATAAATTGTTCCAAGAGAAGATGGCAGATCTTCCTCGAGAG
CTGTTCCCATGGGAATAA
Target 2 GenBank Gene ID
Target 2 GeneCard ID SULT2A1 Link Image
Target 2 GenAtlas ID SULT2A1 Link Image
Target 2 HGNC ID HGNC:11458 Link Image
Target 2 Chromosome Location 19
Target 2 Locus 19q13.3
Target 2 SNPs SNPJam Report Link Image
Target 2 General References
  1. Kong AN, Yang L, Ma M, Tao D, Bjornsson TD: Molecular cloning of the alcohol/hydroxysteroid form (hSTa) of sulfotransferase from human liver. Biochem Biophys Res Commun. 1992 Aug 31;187(1):448-54. [PubMed Link Image]
  2. Otterness DM, Wieben ED, Wood TC, Watson WG, Madden BJ, McCormick DJ, Weinshilboum RM: Human liver dehydroepiandrosterone sulfotransferase: molecular cloning and expression of cDNA. Mol Pharmacol. 1992 May;41(5):865-72. [PubMed Link Image]
  3. Forbes KJ, Hagen M, Glatt H, Hume R, Coughtrie MW: Human fetal adrenal hydroxysteroid sulphotransferase: cDNA cloning, stable expression in V79 cells and functional characterisation of the expressed enzyme. Mol Cell Endocrinol. 1995 Jul;112(1):53-60. [PubMed Link Image]
  4. Luu-The V, Dufort I, Paquet N, Reimnitz G, Labrie F: Structural characterization and expression of the human dehydroepiandrosterone sulfotransferase gene. DNA Cell Biol. 1995 Jun;14(6):511-8. [PubMed Link Image]
  5. Comer KA, Falany JL, Falany CN: Cloning and expression of human liver dehydroepiandrosterone sulphotransferase. Biochem J. 1993 Jan 1;289 ( Pt 1):233-40. [PubMed Link Image]
  6. Otterness DM, Her C, Aksoy S, Kimura S, Wieben ED, Weinshilboum RM: Human dehydroepiandrosterone sulfotransferase gene: molecular cloning and structural characterization. DNA Cell Biol. 1995 Apr;14(4):331-41. [PubMed Link Image]
Target 2 Drug References
  1. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed Link Image]
  2. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed Link Image]
Drug Target 3 [top]
Target 3 ID 2268
Target 3 Name Cholesterol oxidase
Target 3 Synonyms
  1. CHOD
  2. Cholesterol oxidase precursor
  3. EC 1.1.3.6
Target 3 Gene Name choB
Target 3 Protein Sequence >Cholesterol oxidase precursor 
MTDSRANRADATRGVASVSRRRFLAGAGLTAGAIALSSMSTSASAAPSRTLADGDRVPAL
VIGSGYGGAVAALRLTQAGIPTQIVEMGRSWDTPGSDGKIFCGMLNPDKRSMWLADKTDQ
PVSNFMGFGINKSIDRYVGVLDSERFSGIKVYQGRGVGGGSLVNGGMAVTPKRNYFEEIL
PSVDSNEMYNKYFPRANTGLGVNNIDQAWFESTEWYKFARTGRKTAQRSGFTTAFVPNVY
DFEYMKKEAAGQVTKSGLGGEVIYGNNAGKKSLDKTYLAQAAATGKLTITTLHRVTKVAP
ATGSGYSVTMEQIDEQGNVVATKVVTADRVFFAAGSVGTSKLLVSMKAQGHLPNLSSQVG
EGWGNNGNIMVGRANHMWDATGSKQATIPTMGIDNWADPTAPIFAEIAPLPAGLETYVSL
YLAITKNPERARFQFNSGTGKVDLTWAQSQNQKGIDMAKKVFDKINQKEGTIYRTDLFGV
YFKTWGDDFTYHPLGGVLLNKATDNFGRLPEYPGLYVVDGSLVPGNVGVNPFVTITRLAE
RNMDKIISSDIQ
Target 3 Number of Residues 561
Target 3 Molecular Weight 59359
Target 3 Theoretical pI 9.73
Target 3 GO Classification
Function
monooxygenase activity
catalytic activity
oxidoreductase activity
Process
aromatic compound metabolism
physiological process
metabolism
cellular metabolism
generation of precursor metabolites and energy
electron transport
Component
Not Available
Target 3 General Function Amino acid transport and metabolism
Target 3 Specific Function Cholesterol + O(2) = cholest-4-en-3-one + H(2)O(2)
Target 3 Pathways
Name SMPDB Link KEGG Link
Bile acid biosynthesis SMP00035 Link Image map00120 Link Image
Target 3 Reactions
  • cholesterol + O2 = cholest-4-en-3-one + H2O2
Target 3 Pfam Domain Function
Target 3 Signals
  • 1-45
Target 3 Transmembrane Regions
  • None
Target 3 Essentiality Essential
Target 3 GenBank ID Protein 216385 Link Image
Target 3 UniProtKB/Swiss-Prot ID P22637 Link Image
Target 3 UniProtKB/Swiss-Prot Entry Name CHOD_BREST Link Image
Target 3 PDB ID 3COX Link Image
Target 3 PDB File Show
Target 3 3D Structure
Target 3 Cellular Location
  • Secreted protein
Target 3 Gene Sequence >1659 bp 
ATGACCGATAGCCGGGCGAACAGAGCCGATGCGACTCGGGGGGTTGCATCCGTCTCACGC
CGTCGATTCCTTGCGGGCGCAGGTCTGACCGCGGGAGCCATCGCGCTCTCGTCGATGTCG
ACCTCCGCCTCCGCAGCCCCCAGCCGCACCCTCGCCGACGGCGACCGCGTCCCTGCCCTC
GTCATCGGCAGTGGATACGGCGGTGCCGTCGCCGCGCTGCGGCTGACGCAGGCCGGTATC
CCCACGCAGATCGTCGAGATGGGCCGCAGCTGGGACACCCCGGGCTCCGACGGCAAGATC
TTCTGCGGGATGCTCAACCCCGACAAGCGCTCGATGTGGTTGGCCGACAAGACCGATCAG
CCGGTCAGCAACTTCATGGGCTTCGGCATCAACAAGAGCATCGACCGGTACGTCGGCGTC
CTCGACTCCGAGCGGTTCTCCGGCATCAAGGTCTACCAGGGCCGCGGCGTCGGCGGCGGC
TCGCTCGTCAACGGCGGTATGGCAGTCACCCCGAAGCGCAACTACTTCGAGGAGATCCTG
CCGTCGGTCGACTCGAACGAGATGTACAACAAGTACTTCCCGCGCGCCAACACCGGTCTG
GGTGTCAACAACATCGACCAGGCGTGGTTCGAGTCCACCGAGTGGTACAAGTTCGCCCGC
ACCGGCCGCAAGACCGCCCAACGTTCGGGTTTCACAACCGCTTTCGTGCCCAACGTGTAC
GACTTCGAGTACATGAAGAAGGAGGCTGCCGGCCAGGTCACCAAGTCGGGCCTCGGCGGT
GAGGTCATCTACGGCAACAACGCCGGCAAGAAGTCGCTCGACAAGACCTACCTCGCGCAG
GCCGCGGCCACCGGGAAGCTGACGATCACGACTTTGCACCGCGTCACCAAGGTCGCGCCG
GCCACCGGCAGCGGCTACAGCGTGACGATGGAACAGATCGACGAGCAGGGCAACGTCGTC
GCCACCAAGGTCGTCACCGCCGATCGGGTGTTCTTCGCGGCCGGCAGCGTCGGCACCAGC
AAGCTCCTGGTCTCGATGAAGGCGCAGGGCCACCTGCCGAACCTGTCGTCGCAGGTCGGC
GAGGGCTGGGGCAACAACGGCAACATCATGGTGGGCCGCGCGAACCACATGTGGGACGCC
ACCGGATCCAAGCAGGCCACCATCCCGACGATGGGAATCGACAACTGGGCCGACCCGACG
GCACCGATCTTCGCGGAGATCGCCCCGCTGCCGGCCGGGCTCGAGACCTACGTCAGCCTG
TACCTGGCCATCACGAAGAACCCCGAACGTGCTCGCTTCCAGTTCAATTCGGGCACCGGC
AAGGTCGATCTCACCTGGGCTCAGTCGCAGAACCAGAAGGGCATCGACATGGCCAAGAAG
GTGTTCGACAAGATCAACCAGAAGGAGGGCACCATCTACCGCACCGATCTGTTCGGTGTC
TACTTCAAGACCTGGGGCGACGACTTCACGTACCACCCGCTGGGCGGCGTGCTGCTGAAC
AAGGCGACCGACAACTTTGGCCGCTTGCCCGAGTACCCCGGCCTGTACGTGGTGGACGGC
TCGCTCGTCCCCGGCAATGTGGGCGTCAACCCGTTCGTCACGATCACCCGGCTCGCCGAG
CGCAACATGGACAAGATCATCTCGTCCGACATCCAGTGA
Target 3 GenBank Gene ID
Target 3 GeneCard ID Not Available
Target 3 GenAtlas ID Not Available
Target 3 HGNC ID Not Available
Target 3 Chromosome Location Not Available
Target 3 Locus Not Available
Target 3 SNPs SNPJam Report Link Image
Target 3 General References
  1. Ohta T, Fujishiro K, Yamaguchi K, Tamura Y, Aisaka K, Uwajima T, Hasegawa M: Sequence of gene choB encoding cholesterol oxidase of Brevibacterium sterolicum: comparison with choA of streptomyces sp. SA-COO. Gene. 1991 Jul 15;103(1):93-6. [PubMed Link Image]
  2. Vrielink A, Lloyd LF, Blow DM: Crystal structure of cholesterol oxidase from Brevibacterium sterolicum refined at 1.8 A resolution. J Mol Biol. 1991 Jun 5;219(3):533-54. [PubMed Link Image]
  3. Fujishiro K, Ohta T, Hasegawa M, Yamaguchi K, Mizukami T, Uwajima T, Ota T: Isolation and identification of the gene of cholesterol oxidase from Brevibacterium sterolicum ATCC 21387, a widely used enzyme in clinical analysis. Biochem Biophys Res Commun. 1990 Oct 30;172(2):721-7. [PubMed Link Image]
Target 3 Drug References
  1. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed Link Image]
  2. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed Link Image]
Drug Target 4 [top]
Target 4 ID 2283
Target 4 Name Steroid Delta-isomerase
Target 4 Synonyms
  1. Delta(5)-3-ketosteroid isomerase
  2. EC 5.3.3.1
Target 4 Gene Name ksi
Target 4 Protein Sequence >Steroid Delta-isomerase 
MNLPTAQEVQGLMARYIELVDVGDIEAIVQMYADDATVEDPFGQPPIHGREQIAAFYRQG
LGGGKVRACLTGPVRASHNGCGAMPFRVEMVWNGQPCALDVIDVMRFDEHGRIQTMQAYW
SEVNLSVREPQ
Target 4 Number of Residues 133
Target 4 Molecular Weight 14536
Target 4 Theoretical pI 4.53
Target 4 GO Classification
Function
catalytic activity
isomerase activity
intramolecular oxidoreductase activity
intramolecular oxidoreductase activity, transposing C=C bonds
steroid delta-isomerase activity
transporter activity
Process
physiological process
cellular physiological process
transport
Component
cell
intracellular
Target 4 General Function Involved in steroid delta-isomerase activity
Target 4 Specific Function A 3-oxo-Delta(5)-steroid = a 3-oxo-Delta(4)- steroid
Target 4 Pathways
Name SMPDB Link KEGG Link
C21-Steroid hormone metabolism map00140 Link Image
Target 4 Reactions
  • a 3-oxo-Delta5-steroid = a 3-oxo-Delta4-steroid
Target 4 Pfam Domain Function
Target 4 Signals
  • None
Target 4 Transmembrane Regions
  • None
Target 4 Essentiality Essential
Target 4 GenBank ID Protein 309871 Link Image
Target 4 UniProtKB/Swiss-Prot ID P07445 Link Image
Target 4 UniProtKB/Swiss-Prot Entry Name SDIS_PSEPU Link Image
Target 4 PDB ID 1OH0 Link Image
Target 4 PDB File Show
Target 4 3D Structure
Target 4 Cellular Location Not Available
Target 4 Gene Sequence >396 bp 
ATGAACCTACCGACTGCGCAGGAAGTCCAGGGCCTGATGGCCCGTTACATCGAGCTGGTC
GATGTCGGGGATATCGAGGCGATCGTGCAGATGTACGCCGATGACGCCACGGTCGAAGAC
CCGTTTGGCCAGCCGCCGATCCACGGCCGCGAGCAGATTGCCGCGTTCTATCGCCAGGGT
TTGGGCGGGGGCAAGGTCCGCGCCTGCCTGACCGGGCCGGTACGGGCCAGCCATAACGGC
TGCGGGGCGATGCCGTTTCGCGTCGAGATGGTCTGGAACGGCCAGCCCTGTGCACTGGAT
GTCATCGATGTGATGCGCTTTGATGAGCACGGCCGGATCCAGACGATGCAAGCCTACTGG
AGCGAGGTCAACCTCAGCGTGCGCGAGCCGCAGTAG
Target 4 GenBank Gene ID
Target 4 GeneCard ID Not Available
Target 4 GenAtlas ID Not Available
Target 4 HGNC ID Not Available
Target 4 Chromosome Location Not Available
Target 4 Locus Not Available
Target 4 SNPs SNPJam Report Link Image
Target 4 General References
  1. Linden KG, Benisek WF: The amino acid sequence of a delta 5-3-oxosteroid isomerase from Pseudomonas putida biotype B. J Biol Chem. 1986 May 15;261(14):6454-60. [PubMed Link Image]
  2. Kim SW, Kim CY, Benisek WF, Choi KY: Cloning, nucleotide sequence, and overexpression of the gene coding for delta 5-3-ketosteroid isomerase from Pseudomonas putida biotype B. J Bacteriol. 1994 Nov;176(21):6672-6. [PubMed Link Image]
  3. Kim SW, Cha SS, Cho HS, Kim JS, Ha NC, Cho MJ, Joo S, Kim KK, Choi KY, Oh BH: High-resolution crystal structures of delta5-3-ketosteroid isomerase with and without a reaction intermediate analogue. Biochemistry. 1997 Nov 18;36(46):14030-6. [PubMed Link Image]
Target 4 Drug References
  1. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed Link Image]
  2. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed Link Image]
Drug Target 5 [top]
Target 5 ID 2325
Target 5 Name Sulfotransferase family cytosolic 2B member 1
Target 5 Synonyms
  1. Alcohol sulfotransferase
  2. EC 2.8.2.2
  3. Hydroxysteroid sulfotransferase 2
  4. Sulfotransferase 2B1
Target 5 Gene Name SULT2B1
Target 5 Protein Sequence >Sulfotransferase family cytosolic 2B member 1 
MDGPAEPQIPGLWDTYEDDISEISQKLPGEYFRYKGVPFPVGLYSLESISLAENTQDVRD
DDIFIITYPKSGTTWMIEIICLILKEGDPSWIRSVPIWERAPWCETIVGAFSLPDQYSPR
LMSSHLPIQIFTKAFFSSKAKVIYMGRNPRDVVVSLYHYSKIAGQLKDPGTPDQFLRDFL
KGEVQFGSWFDHIKGWLRMKGKDNFLFITYEELQQDLQGSVERICGFLGRPLGKEALGSV
VAHSTFSAMKANTMSNYTLLPPSLLDHRRGAFLRKGVCGDWKNHFTVAQSEAFDRAYRKQ
MRGMPTFPWDEDPEEDGSPDPEPSPEPEPKPSLEPNTSLEREPRPNSSPSPSPGQASETP
HPRPS
Target 5 Number of Residues 371
Target 5 Molecular Weight 41308
Target 5 Theoretical pI 5.05
Target 5 GO Classification
Function
catalytic activity
transferase activity
transferase activity, transferring sulfur-containing groups
sulfotransferase activity
Process
Not Available
Component
Not Available
Target 5 General Function Involved in sulfotransferase activity
Target 5 Specific Function Catalyzes the sulfate conjugation of many hormones, neurotransmitters, drugs and xenobiotic compounds. Sulfonation increases the water solubility of most compounds, and therefore their renal excretion, but it can also result in bioactivation to form active metabolites. Sulfates hydroxysteroids like DHEA. Isoform 1 preferentially sulfonates cholesterol, and isoform 2 avidly sulfonates pregnenolone but not cholesterol
Target 5 Pathways
Name SMPDB Link KEGG Link
Androgen and estrogen metabolism SMP00068 Link Image map00150 Link Image
Target 5 Reactions
  • 3'-phosphoadenylyl sulfate + an alcohol = adenosine 3',5'-bisphosphate + an alkyl sulfate
Target 5 Pfam Domain Function
Target 5 Signals
  • None
Target 5 Transmembrane Regions
  • None
Target 5 Essentiality Non-Essential
Target 5 GenBank ID Protein 1923291 Link Image
Target 5 UniProtKB/Swiss-Prot ID O00204 Link Image
Target 5 UniProtKB/Swiss-Prot Entry Name ST2B1_HUMAN Link Image
Target 5 PDB ID 1Q1Q Link Image
Target 5 PDB File Show
Target 5 3D Structure
Target 5 Cellular Location
  • Cytoplasm
Target 5 Gene Sequence >1053 bp 
ATGGCGTCTCCCCCACCTTTCCACAGCCAGAAGTTGCCAGGTGAATACTTCCGGTACAAG
GGCGTCCCCTTCCCCGTCGGCCTGTACTCGCTCGAGAGCATCAGCTTGGCGGAGAACACC
CAAGATGTGCGGGACGACGACATCTTTATCATCACCTACCCCAAGTCAGGCACGACCTGG
ATGATCGAGATCATCTGCTTAATCCTGAAGGAAGGGGATCCATCCTGGATCCGCTCCGTG
CCCATCTGGGAGCGGGCACCCTGGTGTGAGACCATTGTGGGTGCTTTCAGCCTCCCGGAC
CAGTACAGCCCCCGCCTCATGAGCTCCCATCTTCCCATCCAGATCTTCACCAAGGCCTTC
TTCAGCTCCAAGGCCAAGGTGATCTACATGGGCCGCAACCCCCGGGACGTTGTGGTCTCC
CTCTATCATTACTCCAAGATCGCCGGGCAGTTAAAGGACCCGGGCACACCCGACCAGTTC
CTGAGGGACTTCCTCAAAGGCGAAGTGCAGTTTGGCTCCTGGTTCGACCACATTAAGGGC
TGGCTTCGGATGAAGGGCAAAGACAACTTCCTATTTATCACCTACGAGGAGCTGCAGCAG
GACTTACAGGGCTCCGTGGAGCGCATCTGTGGGTTCCTGGGCCGTCCGCTGGGCAAGGAG
GCACTGGGCTCCGTCGTGGCACACTCAACCTTCAGCGCCATGAAGGCCAACACCATGTCC
AACTACACGCTGCTGCCTCCCAGCCTGCTGGACCACCGTCGCGGGGCCTTCCTCCGGAAA
GGGGTCTGCGGCGACTGGAAGAACCACTTCACGGTGGCCCAGAGCGAAGCCTTCGATCGT
GCCTACCGCAAGCAGATGCGGGGGATGCCGACCTTCCCCTGGGATGAAGACCCGGAGGAG
GATGGCAGCCCAGATCCTGAGCCCAGCCCTGAGCCTGAGCCCAAGCCCAGCCTTGAGCCC
AACACCAGCCTGGAGCGTGAGCCCAGACCCAACTCCAGCCCCAACCCCAGCCCCGGCCAG
GCCTCTGAGACCCCGCACCCACGACCCTCATAA
Target 5 GenBank Gene ID
Target 5 GeneCard ID SULT2B1 Link Image
Target 5 GenAtlas ID SULT2B1 Link Image
Target 5 HGNC ID HGNC:11459 Link Image
Target 5 Chromosome Location 19
Target 5 Locus 19q13.3
Target 5 SNPs SNPJam Report Link Image
Target 5 General References
  1. Fuda H, Lee YC, Shimizu C, Javitt NB, Strott CA: 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. 2002 Sep 27;277(39):36161-6. Epub 2002 Jul 26. [PubMed Link Image]
  2. Lee KA, Fuda H, Lee YC, Negishi M, Strott CA, Pedersen LC: 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. 2003 Nov 7;278(45):44593-9. Epub 2003 Aug 14. [PubMed Link Image]
  3. Her C, Wood TC, Eichler EE, Mohrenweiser HW, Ramagli LS, Siciliano MJ, Weinshilboum RM: Human hydroxysteroid sulfotransferase SULT2B1: two enzymes encoded by a single chromosome 19 gene. Genomics. 1998 Nov 1;53(3):284-95. [PubMed Link Image]
Target 5 Drug References
  1. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed Link Image]
  2. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed Link Image]

This project is supported by Genome Alberta & Genome Canada, a not-for-profit organization that is leading Canada's national genomics strategy with $600 million in funding from the federal government. This project is also supported in part by GenomeQuest, Inc., an enterprise genomic information company serving the life science community.