7hvp
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(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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Revision as of 12:53, 8 November 2007
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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 ACE, CH2 and OME 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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