Structural highlights
4j27 is a 2 chain structure with sequence from Bacteroides thetaiotaomicron vpi-5482. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
|
| Ligands: | , , |
| Related: | 4j28, 4jfs, 4jft, 4jfu, 4jfv, 4jfw, 4jl1, 4jl2 |
| Resources: | FirstGlance, OCA, RCSB, PDBsum |
Publication Abstract from PubMed
Fucosidases, enzymes that cleave fucose from the non-reducing end of a glycan, represent promising medicinal targets reflecting their roles in cancer metastasis, inflammation, host-parasite interactions and the lysosomal storage disorder fucosidosis. The X-ray crystal structures of Bacteroides thetaiotaomicron GH29 alpha-l-fucosidase (BtFuc2970) in a new crystal form (at a resolution of 1.59A) and liganded with a 5-membered iminocyclitol inhibitor (1.73A) are reported herein. The 5-membered iminocyclitol binds in a (3)E conformation, mimicking the proposed (3)H4 half chair transition-state of the enzyme catalysed reaction, and its Ki for BtFuc2970 was determined as 2muM. Structural analysis of fucosidase inhibition through 5-membered iminocyclitols will aid in the rational design of more potent fucosidase inhibitors for treatment of a range of medical conditions.
Three dimensional structure of a bacterial alpha-l-fucosidase with a 5-membered iminocyclitol inhibitor.,Wright DW, Moreno-Vargas AJ, Carmona AT, Robina I, Davies GJ Bioorg Med Chem. 2013 Aug 15;21(16):4751-4. doi: 10.1016/j.bmc.2013.05.056. Epub , 2013 Jun 13. PMID:23830696[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Wright DW, Moreno-Vargas AJ, Carmona AT, Robina I, Davies GJ. Three dimensional structure of a bacterial alpha-l-fucosidase with a 5-membered iminocyclitol inhibitor. Bioorg Med Chem. 2013 Aug 15;21(16):4751-4. doi: 10.1016/j.bmc.2013.05.056. Epub , 2013 Jun 13. PMID:23830696 doi:10.1016/j.bmc.2013.05.056
