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1sp4

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[[Image:1sp4.jpg|left|200px]]<br /><applet load="1sp4" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1sp4.jpg|left|200px]]
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caption="1sp4, resolution 2.20&Aring;" />
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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'''<br />
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{{Structure
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|PDB= 1sp4 |SIZE=350|CAPTION= <scene name='initialview01'>1sp4</scene>, resolution 2.20&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=EPO:1-OXO-(2-HYDROXYBUTYL)-4-OXO+GROUP'>EPO</scene>, <scene name='pdbligand=LEU:LEUCINE'>LEU</scene> and <scene name='pdbligand=PRO:PROLINE'>PRO</scene>
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|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]
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|GENE=
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}}
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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'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1SP4 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] with <scene name='pdbligand=EPO:'>EPO</scene>, <scene name='pdbligand=LEU:'>LEU</scene> and <scene name='pdbligand=PRO:'>PRO</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SP4 OCA].
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1SP4 is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SP4 OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15084146 15084146]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/15084146 15084146]
[[Category: Bos taurus]]
[[Category: Bos taurus]]
[[Category: Cathepsin B]]
[[Category: Cathepsin B]]
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[[Category: PRO]]
[[Category: PRO]]
[[Category: cathepsin b]]
[[Category: cathepsin b]]
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[[Category: epoxysuccinyl-based inhibitors]]
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[[Category: epoxysuccinyl-based inhibitor]]
[[Category: inhibitor design]]
[[Category: inhibitor design]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:03:45 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:07:53 2008''

Revision as of 12:07, 20 March 2008

Image:1sp4.jpg


PDB ID 1sp4

Drag the structure with the mouse to rotate
, resolution 2.20Å
Ligands: , and
Activity: Cathepsin B, with EC number 3.4.22.1
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

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