2ces: Difference between revisions
No edit summary |
No edit summary |
||
| Line 1: | Line 1: | ||
[[Image:2ces.jpg|left|200px]] | [[Image:2ces.jpg|left|200px]] | ||
'''BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH GLUCOIMIDAZOLE''' | {{Structure | ||
|PDB= 2ces |SIZE=350|CAPTION= <scene name='initialview01'>2ces</scene>, resolution 2.15Å | |||
|SITE= <scene name='pdbsite=NUC:Gim+Binding+Site+For+Chain+B'>NUC</scene> | |||
|LIGAND= <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene> and <scene name='pdbligand=GIM:GLUCOIMIDAZOLE'>GIM</scene> | |||
|ACTIVITY= [http://en.wikipedia.org/wiki/Beta-glucosidase Beta-glucosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.21 3.2.1.21] | |||
|GENE= | |||
}} | |||
'''BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH GLUCOIMIDAZOLE''' | |||
==Overview== | ==Overview== | ||
| Line 7: | Line 16: | ||
==About this Structure== | ==About this Structure== | ||
2CES is a [ | 2CES is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Thermotoga_maritima Thermotoga maritima]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CES OCA]. | ||
==Reference== | ==Reference== | ||
Structural, kinetic, and thermodynamic analysis of glucoimidazole-derived glycosidase inhibitors., Gloster TM, Roberts S, Perugino G, Rossi M, Moracci M, Panday N, Terinek M, Vasella A, Davies GJ, Biochemistry. 2006 Oct 3;45(39):11879-84. PMID:[http:// | Structural, kinetic, and thermodynamic analysis of glucoimidazole-derived glycosidase inhibitors., Gloster TM, Roberts S, Perugino G, Rossi M, Moracci M, Panday N, Terinek M, Vasella A, Davies GJ, Biochemistry. 2006 Oct 3;45(39):11879-84. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17002288 17002288] | ||
[[Category: Beta-glucosidase]] | [[Category: Beta-glucosidase]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
| Line 28: | Line 37: | ||
[[Category: transition state mimic]] | [[Category: transition state mimic]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:14:27 2008'' | ||
Revision as of 17:14, 20 March 2008
| |||||||
| , resolution 2.15Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | |||||||
| Ligands: | , and | ||||||
| Activity: | Beta-glucosidase, with EC number 3.2.1.21 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
BETA-GLUCOSIDASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH GLUCOIMIDAZOLE
OverviewOverview
Inhibition of glycosidases has great potential in the quest for highly potent and specific drugs to treat diseases such as diabetes, cancer, and viral infections. One of the most effective ways of designing such compounds is by mimicking the transition state. Here we describe the structural, kinetic, and thermodynamic dissection of binding of two glucoimidazole-derived compounds, which are among the most potent glycosidase inhibitors reported to date, with two family 1 beta-glycosidases. Provocatively, while inclusion of the phenethyl moiety improves binding by a factor of 20-80-fold, this does not appear to result from better noncovalent interactions with the enzyme; instead, improved affinity may be derived from significantly better entropic contributions to binding displayed by the phenethyl-substituted imidazole compound.
About this StructureAbout this Structure
2CES is a Single protein structure of sequence from Thermotoga maritima. Full crystallographic information is available from OCA.
ReferenceReference
Structural, kinetic, and thermodynamic analysis of glucoimidazole-derived glycosidase inhibitors., Gloster TM, Roberts S, Perugino G, Rossi M, Moracci M, Panday N, Terinek M, Vasella A, Davies GJ, Biochemistry. 2006 Oct 3;45(39):11879-84. PMID:17002288
Page seeded by OCA on Thu Mar 20 16:14:27 2008