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2a4q
From Proteopedia
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|PDB= 2a4q |SIZE=350|CAPTION= <scene name='initialview01'>2a4q</scene>, resolution 2.45Å | |PDB= 2a4q |SIZE=350|CAPTION= <scene name='initialview01'>2a4q</scene>, resolution 2.45Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=FNH:(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC+ACID'>FNH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1a1r|1A1R]], [[2a4g|2A4G]], [[1jxp|1JXP]], [[1n1l|1N1L]], [[1ns3|1NS3]], [[1rtl|1RTL]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2a4q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2a4q OCA], [http://www.ebi.ac.uk/pdbsum/2a4q PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2a4q RCSB]</span> | ||
}} | }} | ||
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[[Category: Pichardo, J.]] | [[Category: Pichardo, J.]] | ||
[[Category: Prongay, A.]] | [[Category: Prongay, A.]] | ||
| - | [[Category: BME]] | ||
| - | [[Category: FNH]] | ||
| - | [[Category: ZN]] | ||
[[Category: virus/viral protein]] | [[Category: virus/viral protein]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:47:49 2008'' |
Revision as of 22:47, 30 March 2008
| |||||||
| , resolution 2.45Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Related: | 1A1R, 2A4G, 1JXP, 1N1L, 1NS3, 1RTL
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.
Overview
The 17-membered phenylalanine-based macrocycle 6 was prepared starting from 3-iodo-phenylalanine. Macrocyclization of alkene phenyl iodide 5 was effected through a palladium-catalyzed Heck reaction. The macrocyclic alpha-ketoamides were active inhibitors of the HCV NS3 protease, with the C-terminal acids and amides being more potent than tert-butyl esters.
About this Structure
2A4Q is a Protein complex structure of sequences from Hepatitis c virus. Full crystallographic information is available from OCA.
Reference
Synthesis and biological activity of macrocyclic inhibitors of hepatitis C virus (HCV) NS3 protease., Chen KX, Njoroge FG, Prongay A, Pichardo J, Madison V, Girijavallabhan V, Bioorg Med Chem Lett. 2005 Oct 15;15(20):4475-8. PMID:16112859
Page seeded by OCA on Mon Mar 31 01:47:49 2008
