BD1

BD1 is a natural carbonyl-containing bicyclic ring ligand forming a tetrahedral complex in the enzyme active site. It protects haloperoxidase from inhibition by PMSF

General

Type : Benzodioxo

Chemical_Nomenclature : (3aS,7aR)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-ol

Canonical SMILES : C1C=CCC2C1OC(O2)O

InChI : InChI=1S\/C7H10O3\/c8-7-9-5-3-1-2-4-6(5)10-7\/h1-2,5-8H,3-4H2\/t5-,6+,7?

InChIKey : VYBGCFNFGGLKAA-MEKDEQNOSA-N

Other name(s) : AC1NRA7Q,(3aS,7aR)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-ol


MW : 142.15

Formula : C7H10O3

CAS_number :

PubChem : 5287746

UniChem : VYBGCFNFGGLKAA-MEKDEQNOSA-N

IUPHAR :

Wikipedia :

Target

Families : BD1 ligand of proteins in family: Haloperoxidase

Stucture : 1HL7 Crystal Structure of Gamma Lactamase from Aureobacterium In Complex With 3A,4,7,7A-Tetrahydro-Benzo [1,3] Dioxol-2-One

Protein : uncmi-Q8GJP7

References (1)

Title : The crystal structure of a (-) gamma-lactamase from an Aureobacterium species reveals a tetrahedral intermediate in the active site - Line_2004_J.Mol.Biol_338_519
Author(s) : Line K , Isupov MN , Littlechild JA
Ref : Journal of Molecular Biology , 338 :519 , 2004
Abstract : Line_2004_J.Mol.Biol_338_519
ESTHER : Line_2004_J.Mol.Biol_338_519
PubMedSearch : Line_2004_J.Mol.Biol_338_519
PubMedID: 15081810
Gene_locus related to this paper: uncmi-Q8GJP7