7hvp
From Proteopedia
(New page: 200px<br /> <applet load="7hvp" size="450" color="white" frame="true" align="right" spinBox="true" caption="7hvp, resolution 2.4Å" /> '''X-RAY CRYSTALLOGRAPH...) |
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| - | [[Image:7hvp.gif|left|200px]]<br /> | + | [[Image:7hvp.gif|left|200px]]<br /><applet load="7hvp" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="7hvp" size=" | + | |
caption="7hvp, resolution 2.4Å" /> | caption="7hvp, resolution 2.4Å" /> | ||
'''X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR'''<br /> | '''X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR'''<br /> | ||
==Overview== | ==Overview== | ||
| - | The structure of a crystal complex of the chemically synthesized protease | + | The structure of a crystal complex of the chemically synthesized protease of human immunodeficiency virus 1 with a heptapeptide-derived inhibitor bound in the active site has been determined. The sequence of the inhibitor JG-365 is Ac-Ser-Leu-Asn-Phe-psi[CH(OH)CH2N]-Pro-Ile-Val-OMe; the Ki is 0.24 nM. The hydroxyethylamine moiety, in place of the normal scissile bond of the substrate, is believed to mimic a tetrahedral reaction intermediate. The structure of the complex has been refined to an R factor of 0.146 at 2.4-A resolution by using restrained least squares with rms deviations in bond lengths of 0.02 A and bond angles of 4. The bound inhibitor diastereomer has the S configuration at the hydroxyethylamine chiral carbon, and the hydroxyl group is positioned between the active site aspartate carboxyl groups within hydrogen bonding distance. Comparison of this structure with a reduced peptide bond inhibitor-protease complex indicates that these contacts confer the exceptional binding strength of JG-365. |
==About this Structure== | ==About this Structure== | ||
| - | 7HVP is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1] with ACE, CH2 and OME as [http://en.wikipedia.org/wiki/ligands ligands]. The following page contains interesting information on the relation of 7HVP with [[http://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/pdb6_1.html HIV-1 Protease]]. Full crystallographic information is available from [http:// | + | 7HVP is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1] with <scene name='pdbligand=ACE:'>ACE</scene>, <scene name='pdbligand=CH2:'>CH2</scene> and <scene name='pdbligand=OME:'>OME</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. The following page contains interesting information on the relation of 7HVP with [[http://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/pdb6_1.html HIV-1 Protease]]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7HVP OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Green, J.]] | [[Category: Green, J.]] | ||
| - | [[Category: Kent, S | + | [[Category: Kent, S B.H.]] |
| - | [[Category: Miller, M | + | [[Category: Miller, M M.]] |
| - | [[Category: Rich, D | + | [[Category: Rich, D H.]] |
[[Category: Schneider, J.]] | [[Category: Schneider, J.]] | ||
| - | [[Category: Swain, A | + | [[Category: Swain, A L.]] |
[[Category: Wlodawer, A.]] | [[Category: Wlodawer, A.]] | ||
[[Category: ACE]] | [[Category: ACE]] | ||
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[[Category: hydrolase(acid proteinase)]] | [[Category: hydrolase(acid proteinase)]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 19:17:09 2008'' |
Revision as of 17:17, 21 February 2008
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X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR
Overview
The structure of a crystal complex of the chemically synthesized protease of human immunodeficiency virus 1 with a heptapeptide-derived inhibitor bound in the active site has been determined. The sequence of the inhibitor JG-365 is Ac-Ser-Leu-Asn-Phe-psi[CH(OH)CH2N]-Pro-Ile-Val-OMe; the Ki is 0.24 nM. The hydroxyethylamine moiety, in place of the normal scissile bond of the substrate, is believed to mimic a tetrahedral reaction intermediate. The structure of the complex has been refined to an R factor of 0.146 at 2.4-A resolution by using restrained least squares with rms deviations in bond lengths of 0.02 A and bond angles of 4. The bound inhibitor diastereomer has the S configuration at the hydroxyethylamine chiral carbon, and the hydroxyl group is positioned between the active site aspartate carboxyl groups within hydrogen bonding distance. Comparison of this structure with a reduced peptide bond inhibitor-protease complex indicates that these contacts confer the exceptional binding strength of JG-365.
About this Structure
7HVP is a Single protein structure of sequence from Human immunodeficiency virus 1 with , and as ligands. The following page contains interesting information on the relation of 7HVP with [HIV-1 Protease]. Full crystallographic information is available from OCA.
Reference
X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor., Swain AL, Miller MM, Green J, Rich DH, Schneider J, Kent SB, Wlodawer A, Proc Natl Acad Sci U S A. 1990 Nov;87(22):8805-9. PMID:2247451
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