1aec
From Proteopedia
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| - | [[Image:1aec.gif|left|200px]] | + | [[Image:1aec.gif|left|200px]] |
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| - | '''CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+''' | + | {{Structure |
| + | |PDB= 1aec |SIZE=350|CAPTION= <scene name='initialview01'>1aec</scene>, resolution 1.86Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=E64:N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE'>E64</scene> | ||
| + | |ACTIVITY= [http://en.wikipedia.org/wiki/Actinidain Actinidain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.14 3.4.22.14] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1AEC is a [ | + | 1AEC is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Actinidia_chinensis Actinidia chinensis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AEC OCA]. |
==Reference== | ==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:[http:// | + | 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:[http://www.ncbi.nlm.nih.gov/pubmed/1606141 1606141] |
[[Category: Actinidain]] | [[Category: Actinidain]] | ||
[[Category: Actinidia chinensis]] | [[Category: Actinidia chinensis]] | ||
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[[Category: hydrolase]] | [[Category: hydrolase]] | ||
| - | ''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 09:56:18 2008'' |
Revision as of 07:56, 20 March 2008
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| , resolution 1.86Å | |||||||
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| Ligands: | |||||||
| Activity: | Actinidain, with EC number 3.4.22.14 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+
Overview
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.
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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