2fak

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[[Image:2fak.gif|left|200px]]
[[Image:2fak.gif|left|200px]]
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{{Structure
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|PDB= 2fak |SIZE=350|CAPTION= <scene name='initialview01'>2fak</scene>, resolution 2.80&Aring;
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The line below this paragraph, containing "STRUCTURE_2fak", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=SA1:(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE'>SA1</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Proteasome_endopeptidase_complex Proteasome endopeptidase complex], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.25.1 3.4.25.1] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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|DOMAIN=
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{{STRUCTURE_2fak| PDB=2fak | SCENE= }}
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|RELATEDENTRY=[[1ryp|1RYP]], [[1iru|1IRU]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2fak FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fak OCA], [http://www.ebi.ac.uk/pdbsum/2fak PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2fak RCSB]</span>
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'''Crystal structure of Salinosporamide A in complex with the yeast 20S proteasome'''
'''Crystal structure of Salinosporamide A in complex with the yeast 20S proteasome'''
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[[Category: Groll, M.]]
[[Category: Groll, M.]]
[[Category: Potts, B C.]]
[[Category: Potts, B C.]]
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[[Category: drug design]]
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[[Category: Drug design]]
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[[Category: inhibitor]]
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[[Category: Inhibitor]]
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[[Category: protease]]
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[[Category: Protease]]
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[[Category: proteasome]]
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[[Category: Proteasome]]
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[[Category: ubiquitin]]
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[[Category: Ubiquitin]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 03:39:50 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:00:06 2008''
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Revision as of 00:39, 4 May 2008

Image:2fak.gif

Template:STRUCTURE 2fak

Crystal structure of Salinosporamide A in complex with the yeast 20S proteasome


Overview

The crystal structures of the yeast 20S proteasome core particle (CP) in complex with Salinosporamides A (NPI-0052; 1) and B (4) were solved at <3 angstroms resolution. Each ligand is covalently bound to Thr1O(gamma) via an ester linkage to the carbonyl derived from the beta-lactone ring of the inhibitor. In the case of 1, nucleophilic addition to the beta-lactone ring is followed by addition of C-3O to the chloroethyl group, giving rise to a cyclic ether. The crystal structures were compared to that of the omuralide/CP structure solved previously, and the collective data provide new insights into the mechanism of inhibition and irreversible binding of 1. Upon opening of the beta-lactone ring, C-3O assumes the position occupied by a water molecule in the unligated enzyme and hinders deacylation of the enzyme-ligand complex. Furthermore, the resulting protonation state of Thr1NH2 deactivates the catalytic N-terminus.

About this Structure

2FAK is a Protein complex structure of sequences from Saccharomyces cerevisiae. Full crystallographic information is available from OCA.

Reference

Crystal structures of Salinosporamide A (NPI-0052) and B (NPI-0047) in complex with the 20S proteasome reveal important consequences of beta-lactone ring opening and a mechanism for irreversible binding., Groll M, Huber R, Potts BC, J Am Chem Soc. 2006 Apr 19;128(15):5136-41. PMID:16608349 Page seeded by OCA on Sun May 4 03:39:50 2008

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