1kyi
From Proteopedia
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| - | [[Image:1kyi.gif|left|200px]] | + | [[Image:1kyi.gif|left|200px]] |
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| - | '''HslUV (H. influenzae)-NLVS Vinyl Sulfone Inhibitor Complex''' | + | {{Structure |
| + | |PDB= 1kyi |SIZE=350|CAPTION= <scene name='initialview01'>1kyi</scene>, resolution 3.1Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=ATP:ADENOSINE-5'-TRIPHOSPHATE'>ATP</scene> and <scene name='pdbligand=LVS:4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE'>LVS</scene> | ||
| + | |ACTIVITY= | ||
| + | |GENE= hslU ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=71421 Haemophilus influenzae Rd KW20]), hslV ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=71421 Haemophilus influenzae Rd KW20]) | ||
| + | }} | ||
| + | |||
| + | '''HslUV (H. influenzae)-NLVS Vinyl Sulfone Inhibitor Complex''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1KYI is a [ | + | 1KYI is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Haemophilus_influenzae_rd_kw20 Haemophilus influenzae rd kw20]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1KYI OCA]. |
==Reference== | ==Reference== | ||
| - | Crystal structure of HslUV complexed with a vinyl sulfone inhibitor: corroboration of a proposed mechanism of allosteric activation of HslV by HslU., Sousa MC, Kessler BM, Overkleeft HS, McKay DB, J Mol Biol. 2002 May 3;318(3):779-85. PMID:[http:// | + | Crystal structure of HslUV complexed with a vinyl sulfone inhibitor: corroboration of a proposed mechanism of allosteric activation of HslV by HslU., Sousa MC, Kessler BM, Overkleeft HS, McKay DB, J Mol Biol. 2002 May 3;318(3):779-85. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12054822 12054822] |
[[Category: Haemophilus influenzae rd kw20]] | [[Category: Haemophilus influenzae rd kw20]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
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[[Category: vinyl sulfone inhibitor]] | [[Category: vinyl sulfone inhibitor]] | ||
| - | ''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 12:23:53 2008'' |
Revision as of 10:23, 20 March 2008
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| , resolution 3.1Å | |||||||
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| Ligands: | and | ||||||
| Gene: | hslU (Haemophilus influenzae Rd KW20), hslV (Haemophilus influenzae Rd KW20) | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
HslUV (H. influenzae)-NLVS Vinyl Sulfone Inhibitor Complex
Overview
On the basis of the structure of a HslUV complex, a mechanism of allosteric activation of the HslV protease, wherein binding of the HslU chaperone propagates a conformational change to the active site cleft of the protease, has been proposed. Here, the 3.1 A X-ray crystallographic structure of Haemophilus influenzae HslUV complexed with a vinyl sulfone inhibitor is described. The inhibitor, which reacts to form a covalent linkage to Thr1 of HslV, binds in an "antiparallel beta" manner, with hydrogen-bond interactions between the peptide backbone of the protease and that of the inhibitor, and with two leucinyl side chains of the inhibitor binding in the S1 and S3 specificity pockets of the protease. Comparison of the structure of the HslUV-inhibitor complex with that of HslV without inhibitor and in the absence of HslU reveals that backbone interactions would correctly position a substrate for cleavage in the HslUV complex, but not in the HslV protease alone, corroborating the proposed mechanism of allosteric activation. This activation mechanism differs from that of the eukaryotic proteasome, for which binding of activators opens a gated channel that controls access of substrates to the protease, but does not perturb the active site environment.
About this Structure
1KYI is a Protein complex structure of sequences from Haemophilus influenzae rd kw20. Full crystallographic information is available from OCA.
Reference
Crystal structure of HslUV complexed with a vinyl sulfone inhibitor: corroboration of a proposed mechanism of allosteric activation of HslV by HslU., Sousa MC, Kessler BM, Overkleeft HS, McKay DB, J Mol Biol. 2002 May 3;318(3):779-85. PMID:12054822
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