7hvp
From Proteopedia
| Line 1: | Line 1: | ||
| - | [[Image:7hvp.gif|left|200px]] | + | [[Image:7hvp.gif|left|200px]] |
| - | + | ||
| - | '''X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR''' | + | {{Structure |
| + | |PDB= 7hvp |SIZE=350|CAPTION= <scene name='initialview01'>7hvp</scene>, resolution 2.4Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=CH2:METHYLENE+GROUP'>CH2</scene> and <scene name='pdbligand=OME:METHOXY GROUP'>OME</scene> | ||
| + | |ACTIVITY= | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR''' | ||
| + | |||
==Overview== | ==Overview== | ||
| Line 7: | Line 16: | ||
==About this Structure== | ==About this Structure== | ||
| - | 7HVP is a [ | + | 7HVP is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. 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== | ||
| - | 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:[http:// | + | 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:[http://www.ncbi.nlm.nih.gov/pubmed/2247451 2247451] |
[[Category: HIV-1 Protease]] | [[Category: HIV-1 Protease]] | ||
[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
| Line 26: | Line 35: | ||
[[Category: hydrolase(acid proteinase)]] | [[Category: hydrolase(acid proteinase)]] | ||
| - | ''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 19:14:32 2008'' |
Revision as of 17:14, 20 March 2008
| |||||||
| , resolution 2.4Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , and | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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. 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
Page seeded by OCA on Thu Mar 20 19:14:32 2008
