1rgq

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[[Image:1rgq.gif|left|200px]]
[[Image:1rgq.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1rgq |SIZE=350|CAPTION= <scene name='initialview01'>1rgq</scene>, resolution 2.90&Aring;
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The line below this paragraph, containing "STRUCTURE_1rgq", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=AKP:N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-1,1-DIHYDROXY-2-OXOETHYL]BUT-3-ENYL}-3-CYCLOHEXYLALANINAMIDE'>AKP</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Hepacivirin Hepacivirin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.98 3.4.21.98] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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|DOMAIN=
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{{STRUCTURE_1rgq| PDB=1rgq | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1rgq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rgq OCA], [http://www.ebi.ac.uk/pdbsum/1rgq PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1rgq RCSB]</span>
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}}
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'''M9A HCV Protease complex with pentapeptide keto-amide inhibitor'''
'''M9A HCV Protease complex with pentapeptide keto-amide inhibitor'''
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[[Category: Saldivar, A.]]
[[Category: Saldivar, A.]]
[[Category: Stoll, V S.]]
[[Category: Stoll, V S.]]
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[[Category: hepatitis c virus protease keto amide peptide inhibitor]]
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[[Category: Hepatitis c virus protease keto amide peptide inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 07:28:32 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:27:56 2008''
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Revision as of 04:28, 3 May 2008

Image:1rgq.gif

Template:STRUCTURE 1rgq

M9A HCV Protease complex with pentapeptide keto-amide inhibitor


Overview

A series of novel peptidyl-alpha-ketoamide compounds were evaluated as inhibitors of the deltaNS3-NS4A serine protease from the hepatitis C virus. These peptidyl-alpha-ketoamide inhibitors with Ki values ranging from 0.17 nM to 5.6 microM exhibited slow-binding inhibition. Kinetic studies established one-step kinetic mechanisms and dissociation rate constants in the 3-7 x 10(-5) s(-1) range for these compounds. The association rate constants, which ranged from 10 to 263,000 M(-1) s(-1), were responsible for the greater than four order of magnitude overall binding affinity range exhibited by this series. An X-ray crystal structure of a protease-inhibitor complex revealed an unusual interaction between the oxyanion of the adduct and the protein as well as a significant movement in the S1' region of the protein loop comprising residues 35-42. These results are quite different from peptidyl-alpha-ketoacid inhibition of HCV protease, which reportedly undergoes no notable conformational changes and proceeds with a two-step slow-binding kinetic mechanism.

About this Structure

1RGQ is a Protein complex structure of sequences from Hepatitis c virus. Full crystallographic information is available from OCA.

Reference

Hepatitis C NS3 protease inhibition by peptidyl-alpha-ketoamide inhibitors: kinetic mechanism and structure., Liu Y, Stoll VS, Richardson PL, Saldivar A, Klaus JL, Molla A, Kohlbrenner W, Kati WM, Arch Biochem Biophys. 2004 Jan 15;421(2):207-16. PMID:14984200 Page seeded by OCA on Sat May 3 07:28:32 2008

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