1w3c
From Proteopedia
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|PDB= 1w3c |SIZE=350|CAPTION= <scene name='initialview01'>1w3c</scene>, resolution 2.3Å | |PDB= 1w3c |SIZE=350|CAPTION= <scene name='initialview01'>1w3c</scene>, resolution 2.3Å | ||
|SITE= <scene name='pdbsite=AC1:Dn2+Binding+Site+For+Chain+B'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:Dn2+Binding+Site+For+Chain+B'>AC1</scene> | ||
| - | |LIGAND= <scene name='pdbligand=DN1:3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARBONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC+ACID'>DN1</scene> | + | |LIGAND= <scene name='pdbligand=DN1:3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARBONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC+ACID'>DN1</scene>, <scene name='pdbligand=DN2:3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARBONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC+ACID'>DN2</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1w3c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1w3c OCA], [http://www.ebi.ac.uk/pdbsum/1w3c PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1w3c RCSB]</span> | ||
}} | }} | ||
| Line 24: | Line 27: | ||
[[Category: Marco, S Di.]] | [[Category: Marco, S Di.]] | ||
[[Category: Volpari, C.]] | [[Category: Volpari, C.]] | ||
| - | [[Category: DN1]] | ||
| - | [[Category: DN2]] | ||
[[Category: hcv]] | [[Category: hcv]] | ||
[[Category: indoline-based peptidomimetic inhibito]] | [[Category: indoline-based peptidomimetic inhibito]] | ||
[[Category: serine protease]] | [[Category: serine protease]] | ||
| - | ''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 00:30:36 2008'' |
Revision as of 21:30, 30 March 2008
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| , resolution 2.3Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | |||||||
| Ligands: | , | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS3 PROTEASE IN COMPLEX WITH A PEPTIDOMIMETIC INHIBITOR
Overview
The design of a series of peptidomimetic inhibitors of the hepatitis C virus NS3 protease is described. These inhibitors feature an indoline-2-carboxamide as a novel heterocyclic replacement for the P3 amino acid residue and N-terminal capping group of tripeptide based inhibitors. The crystal structure of the ternary NS3/NS4A/inhibitor complex for the most active molecule in this series highlights its suitability as an N-terminal capping group of a dipeptide inhibitor of the NS3 protease.
About this Structure
1W3C is a Single protein structure of sequence from Viruses. Full crystallographic information is available from OCA.
Reference
The design and enzyme-bound crystal structure of indoline based peptidomimetic inhibitors of hepatitis C virus NS3 protease., Ontoria JM, Di Marco S, Conte I, Di Francesco ME, Gardelli C, Koch U, Matassa VG, Poma M, Steinkuhler C, Volpari C, Harper S, J Med Chem. 2004 Dec 16;47(26):6443-6. PMID:15588076
Page seeded by OCA on Mon Mar 31 00:30:36 2008
