This old version of Proteopedia is provided for student assignments while the new version is undergoing repairs. Content and edits done in this old version of Proteopedia after March 1, 2026 will eventually be lost when it is retired in about June of 2026.
Apply for new accounts at the new Proteopedia. Your logins will work in both the old and new versions.
1w3c
From Proteopedia
| Line 4: | Line 4: | ||
|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
| |||||||
| , 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
