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 : Dioxolane,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 :

Protein : rhosm-cocE

References (2)

Title : Structural analysis of thermostabilizing mutations of cocaine esterase - Narasimhan_2010_Protein.Eng.Des.Sel_23_537
Author(s) : Narasimhan D , Nance MR , Gao D , Ko MC , MacDonald J , Tamburi P , Yoon D , Landry DM , Woods JH , Zhan CG , Tesmer JJ , Sunahara RK
Ref : Protein Engineering Des Sel , 23 :537 , 2010
Abstract : Narasimhan_2010_Protein.Eng.Des.Sel_23_537
ESTHER : Narasimhan_2010_Protein.Eng.Des.Sel_23_537
PubMedSearch : Narasimhan_2010_Protein.Eng.Des.Sel_23_537
PubMedID: 20436035
Gene_locus related to this paper: rhosm-cocE

Title : A thermally stable form of bacterial cocaine esterase: a potential therapeutic agent for treatment of cocaine abuse - Brim_2010_Mol.Pharmacol_77_593
Author(s) : Brim RL , Nance MR , Youngstrom DW , Narasimhan D , Zhan CG , Tesmer JJ , Sunahara RK , Woods JH
Ref : Molecular Pharmacology , 77 :593 , 2010
Abstract : Brim_2010_Mol.Pharmacol_77_593
ESTHER : Brim_2010_Mol.Pharmacol_77_593
PubMedSearch : Brim_2010_Mol.Pharmacol_77_593
PubMedID: 20086035
Gene_locus related to this paper: rhosm-cocE