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Inhibitor Report for: DTT-adduct

dithiothreitol and CO2 present during the protein purification formed a tetrahedral 1,4-dithio-2,3-butylene carbonate adduct with Ser117 in the active site


General
Type Sulfur Compound
Chemical_Nomenclature (4S,5S)-4,5-bis(sulfanylmethyl)-1,3-dioxolane-2,2-diol
Canonical SMILES C(C1C(OC(O1)(O)O)CS)S
InChI InChI=1S/C5H10O4S2/c6-5(7)8-3(1-10)4(2-11)9-5/h3-4,6-7,10-11H,1-2H2/t3-,4-/m1/s1
InChIKey GTKQHVOANQENIG-QWWZWVQMSA-N
Other name(s) (4s,5s)-4,5-Bis(Mercaptomethyl)-1,3-Dioxolan-2-Ol ; DBC
________________________________________________________________________________________________
MW|198.25
Formula|C5H10O4S2
CAS_number|
PubChem|44631828
UniChem|GTKQHVOANQENIG-QWWZWVQMSA-N
IUPHAR|
Wikipedia|

Target
Families | DTT-adduct ligand of proteins in family: Cocaine_esterase
Stucture | 6 structures (e.g. : 3I2F, 3I2G, 3I2H... more)
Protein | rhosm-cocE

References:
Search PubMed for references concerning: DTT-adduct
    Title: A thermally stable form of bacterial cocaine esterase: a potential therapeutic agent for treatment of cocaine abuse
    Brim RL, Nance MR, Youngstrom DW, Narasimhan D, Zhan CG, Tesmer JJ, Sunahara RK, Woods JH
    Ref: Molecular Pharmacology, 77:593, 2010 : PubMed

            

    Title: Structural analysis of thermostabilizing mutations of cocaine esterase
    Narasimhan D, Nance MR, Gao D, Ko MC, MacDonald J, Tamburi P, Yoon D, Landry DM, Woods JH and Sunahara RK <2 more author(s)>
    Ref: Protein Engineering Des Sel, 23:537, 2010 : PubMed