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1sp4
From Proteopedia
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|PDB= 1sp4 |SIZE=350|CAPTION= <scene name='initialview01'>1sp4</scene>, resolution 2.20Å | |PDB= 1sp4 |SIZE=350|CAPTION= <scene name='initialview01'>1sp4</scene>, resolution 2.20Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=EPO:1-OXO-(2-HYDROXYBUTYL)-4-OXO+GROUP'>EPO</scene>, <scene name='pdbligand=LEU:LEUCINE'>LEU</scene> | + | |LIGAND= <scene name='pdbligand=EPO:1-OXO-(2-HYDROXYBUTYL)-4-OXO+GROUP'>EPO</scene>, <scene name='pdbligand=LEU:LEUCINE'>LEU</scene>, <scene name='pdbligand=MEU:O-METHYL-GLYCINE'>MEU</scene>, <scene name='pdbligand=PRO:PROLINE'>PRO</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Cathepsin_B Cathepsin B], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.1 3.4.22.1] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_B Cathepsin B], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.1 3.4.22.1] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1sp4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1sp4 OCA], [http://www.ebi.ac.uk/pdbsum/1sp4 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1sp4 RCSB]</span> | ||
}} | }} | ||
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[[Category: Stern, I.]] | [[Category: Stern, I.]] | ||
[[Category: Turk, D.]] | [[Category: Turk, D.]] | ||
| - | [[Category: EPO]] | ||
| - | [[Category: LEU]] | ||
| - | [[Category: PRO]] | ||
[[Category: cathepsin b]] | [[Category: cathepsin b]] | ||
[[Category: epoxysuccinyl-based inhibitor]] | [[Category: epoxysuccinyl-based inhibitor]] | ||
[[Category: inhibitor design]] | [[Category: inhibitor design]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:45:10 2008'' |
Revision as of 20:45, 30 March 2008
| |||||||
| , resolution 2.20Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , , | ||||||
| Activity: | Cathepsin B, with EC number 3.4.22.1 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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 Sun Mar 30 23:45:10 2008
