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3eju

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3eju, resolution 1.32Å ()
Ligands: , , ,
Gene: alpha-Man-II, GmII (Drosophila melanogaster)
Activity: Mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase, with EC number 3.2.1.114
Related: 1hty, 1hww, 1hxk, 1ps2, 1qwn, 1r33, 1r34, 1tqv, 2alw, 2f7o, 2f7p, 2f7q, 2f7r, 2fyv, 3bub, 3bup, 3czn, 3ejp, 3ejq, 3ejr, 3ejs, 3ejt
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Contents

Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog:(5S)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-swainsonine

Publication Abstract from PubMed

Golgi alpha-mannosidase II (GMII) is a key enzyme in the N-glycosylation pathway and is a potential target for cancer chemotherapy. The natural product swainsonine is a potent inhibitor of GMII. In this paper we characterize the binding of 5alpha-substituted swainsonine analogues to the soluble catalytic domain of Drosophila GMII by X-ray crystallography. These inhibitors enjoy an advantage over previously reported GMII inhibitors in that they did not significantly decrease the inhibitory potential of the swainsonine head-group. The phenyl groups of these analogues occupy a portion of the binding site not previously seen to be populated with either substrate analogues or other inhibitors and they form novel hydrophobic interactions. They displace a well-organized water cluster, but the presence of a C(10) carbonyl allows the reestablishment of important hydrogen bonds. Already approximately tenfold more active against the Golgi enzyme than the lysosomal enzyme, these inhibitors offer the potential of being extended into the N-acetylglucosamine binding site of GMII for the creation of even more potent and selective GMII inhibitors.

Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II., Kuntz DA, Nakayama S, Shea K, Hori H, Uto Y, Nagasawa H, Rose DR, Chembiochem. 2010 Mar 5;11(5):673-680. PMID:20209559

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

About this Structure

3eju is a 1 chain structure with sequence from Drosophila melanogaster. Full crystallographic information is available from OCA.

See Also

Reference

  • Kuntz DA, Nakayama S, Shea K, Hori H, Uto Y, Nagasawa H, Rose DR. Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II. Chembiochem. 2010 Mar 5;11(5):673-680. PMID:20209559 doi:10.1002/cbic.200900750

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