1sp4: Difference between revisions
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'''Crystal structure of NS-134 in complex with bovine cathepsin B: a two headed epoxysuccinyl inhibitor extends along the whole active site cleft''' | '''Crystal structure of NS-134 in complex with bovine cathepsin B: a two headed epoxysuccinyl inhibitor extends along the whole active site cleft''' | ||
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[[Category: Stern, I.]] | [[Category: Stern, I.]] | ||
[[Category: Turk, D.]] | [[Category: Turk, D.]] | ||
[[Category: | [[Category: Cathepsin b]] | ||
[[Category: | [[Category: Epoxysuccinyl-based inhibitor]] | ||
[[Category: | [[Category: Inhibitor design]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 08:58:29 2008'' | |||
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Revision as of 05:58, 3 May 2008
Crystal structure of NS-134 in complex with bovine cathepsin B: a two headed epoxysuccinyl inhibitor extends along the whole active site cleft
Overview
The crystal structure of the inhibitor NS-134 in complex with bovine cathepsin B reveals that functional groups attached to both sides of the epoxysuccinyl reactive group bind to the part of active-site cleft as predicted. The -Leu-Pro-OH side binds to the primed binding sites interacting with the His110 and His111 residues with its C-terminal carboxy group, whereas the -Leu-Gly-Meu (-Leu-Gly-Gly-OMe) part (Meu, methoxycarbonylmethyl) binds along the non-primed binding sites. Comparison with the propeptide structures of cathepsins revealed that the binding of the latter part is least similar to the procathepsin B structure; this result, together with the two-residue shift in positioning of the Leu-Gly-Gly part, suggests that the propeptide structures of the cognate enzymes may not be the best starting point for the design of reverse binding inhibitors.
About this Structure
1SP4 is a Protein complex structure of sequences from Bos taurus. Full crystallographic information is available from OCA.
Reference
Crystal structure of NS-134 in complex with bovine cathepsin B: a two-headed epoxysuccinyl inhibitor extends along the entire active-site cleft., Stern I, Schaschke N, Moroder L, Turk D, Biochem J. 2004 Jul 15;381(Pt 2):511-7. PMID:15084146 Page seeded by OCA on Sat May 3 08:58:29 2008
