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Substrate Report for: BHET

product of hydrolysis of Polyethylene-terephthalate. Polyethylene terephthalate is the most common thermoplastic polymer resin of the polyester family and is used in fibers for clothing, containers for liquids and foods. Normally not hydrolysed by idesa-mheth but S416A, F424N, R411A/S419G/F424N mutants have BHETase activity ( Palm et al.). Degradation of PET using hydrolytic enzymes leads to the release of hydrolysis products such as BHET (bis(2-hydroxyethyl) terephthalate), MHET (mono-(2-hydroxyethyl) terephthalic acid), TPA (terephthalic acid) and EG (ethylene glycol)


General
Type Terephthalate, Phthalate
Chemical_Nomenclature bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
Canonical SMILES C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCO
InChI InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2
InChIKey QPKOBORKPHRBPS-UHFFFAOYSA-N
Other name(s) bis-2(hydroxyethyl) terephthalate ; Bis(hydroxyethyl) terephthalate ; Bis(beta-hydroxyethyl) terephthalate ; 1,4-Benzenedicarboxylic acid, bis(2-hydroxyethyl) ester ; Terephthalic acid diethylene glycol ester ; Bis(ethylene glycol) terephthalate ; Bis(2-hydroxyethyl) terephthalate ; ETE ; 2HE(MHET)
________________________________________________________________________________________________
MW|254.23
Formula|C12H14O6
CAS_number|959-26-2
PubChem|13739
UniChem|QPKOBORKPHRBPS-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | BHET ligand of proteins in family: Polyesterase-lipase-cutinase, Tannase
Stucture | 2 structures: 7W66, 6JTT
Protein | idesa-peth, idesa-mheth, thefu-q6a0i3, thefu-q6a0i4, 9flao-a0a330mq60, 9flao-a0a0c1f4u8, 9flao-kjj39608, 9flao-a0a1m6f5v0

References:
Search PubMed for references concerning: BHET

6 more
    Title: Characterization and engineering of a plastic-degrading aromatic polyesterase
    Austin HP, Allen MD, Donohoe BS, Rorrer NA, Kearns FL, Silveira RL, Pollard BC, Dominick G, Duman R and Beckham GT <11 more author(s)>
    Ref: Proc Natl Acad Sci U S A, 115:E4350, 2018 : PubMed

            

    Title: New insights into the function and global distribution of polyethylene terephthalate (PET) degrading bacteria and enzymes in marine and terrestrial metagenomes
    Danso D, Schmeisser C, Chow J, Zimmermann W, Wei R, Leggewie C, Li X, Hazen T, Streit WR
    Ref: Applied Environmental Microbiology, 84:e2773, 2018 : PubMed

            

    Title: Structural insight into catalytic mechanism of PET hydrolase
    Han X, Liu W, Huang JW, Ma J, Zheng Y, Ko TP, Xu L, Cheng YS, Chen CC, Guo RT
    Ref: Nat Commun, 8:2106, 2017 : PubMed