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[[Image:1aec.gif|left|200px]]
{{Seed}}
[[Image:1aec.png|left|200px]]


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{{STRUCTURE_1aec|  PDB=1aec  |  SCENE=  }}  
{{STRUCTURE_1aec|  PDB=1aec  |  SCENE=  }}  


'''CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+'''
===CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+===




==Overview==
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E-64, 1-(L-trans-epoxysuccinylleucylamino)-4-guanidinobutane, is a potent and highly selective irreversible inhibitor of cysteine proteases. The crystal structure of a complex of actinidin and E-64 has been determined at 1.86-A resolution by using the difference Fourier method and refined to an R-factor of 14.5%. The electron density map clearly shows that the C2 atom of the E-64 epoxide ring is covalently bonded to the S atom of the active-site cysteine 25. The charged carboxyl group of E-64 forms four H-bonds with the protein and thus may play an important role in favorably positioning the inhibitor molecule for nucleophilic attack by the active-site thiolate anion. The interaction features between E-64 and actinidin are very similar to those seen in the papain-E-64 complex; however, the amino-4-guanidinobutane group orients differently. The crystals of the actinidin-E-64 complex diffracted much better than the papain-E-64 complex, and consequently the present study provides more precise geometrical information on the binding of the inhibitor. Moreover, this study provides yet another confirmation that the binding of E-64 is at the S subsites and not at the S' subsites as has been previously proposed. The original actinidin structure has been revised using the new cDNA sequence information.
The line below this paragraph, {{ABSTRACT_PUBMED_1606141}}, adds the Publication Abstract to the page
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{{ABSTRACT_PUBMED_1606141}}


==About this Structure==
==About this Structure==
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[[Category: Varughese, K I.]]
[[Category: Varughese, K I.]]
[[Category: Hydrolase]]
[[Category: Hydrolase]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May  2 10:09:24 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jun 30 16:40:17 2008''

Revision as of 13:40, 30 June 2008

File:1aec.png

Template:STRUCTURE 1aec

CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+

Template:ABSTRACT PUBMED 1606141

About this Structure

1AEC is a Single protein structure of sequence from Actinidia chinensis. Full crystallographic information is available from OCA.

Reference

Crystal structure of an actinidin-E-64 complex., Varughese KI, Su Y, Cromwell D, Hasnain S, Xuong NH, Biochemistry. 1992 Jun 9;31(22):5172-6. PMID:1606141

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