| Structural highlights
2wxd is a 1 chain structure with sequence from Sinapis alba. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
| | Ligands: | , , , , , , , , |
| Related: | 1dwh, 1dwj, 1e70, 1e72, 1e73, 1dwi, 1w9b, 1e71, 1dwg, 1e6s, 1dwa, 1dwf, 1w9d, 1myr, 1e6q, 1e4m, 1e6x |
| Activity: | Thioglucosidase, with EC number 3.2.1.147 |
| Resources: | FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT |
Function
[MYRA_SINAL] Degradation of glucosinolates (glucose residue linked by a thioglucoside bound to an amino acid derivative) to glucose, sulfate and any of the products: thiocyanates, isothiocyanates, nitriles, epithionitriles or oxazolidine-2-thiones.
Evolutionary Conservation
Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.
Publication Abstract from PubMed
The 1.6 A resolution structure of the micromolar competitive inhibitor S-(N,N-dimethylaminoethyl) phenylacetothiohydroximate-O-sulfate bound to Sinapis alba myrosinase, a plant thioglucosidase, is reported. Myrosinase and its substrates, the glucosinolates, are part of the plant's defence system. The sulfate group and the phenyl group of the inhibitor bind to the aglycon-binding site of the enzyme, whereas the N,N-dimethyl group binds to the glucose-binding site and explains the large improvement in binding affinity compared with previous compounds. The structure suggests ways to increase the potency and specificity of the compound by improving the interactions with the hydrophobic pocket of the aglycon-binding site.
A micromolar O-sulfated thiohydroximate inhibitor bound to plant myrosinase.,Besle A, Brazzolotto X, Tatibouet A, Cerniauskaite D, Gallienne E, Rollin P, Burmeister WP Acta Crystallogr Sect F Struct Biol Cryst Commun. 2010 Feb 1;66(Pt 2):152-5. Epub, 2010 Jan 27. PMID:20124710[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Besle A, Brazzolotto X, Tatibouet A, Cerniauskaite D, Gallienne E, Rollin P, Burmeister WP. A micromolar O-sulfated thiohydroximate inhibitor bound to plant myrosinase. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2010 Feb 1;66(Pt 2):152-5. Epub, 2010 Jan 27. PMID:20124710 doi:10.1107/S1744309109052865
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