BMRB Entry 34225
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PDB ID: 6fe6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34225
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Title: Solution structure of a last generation P2-P4 macrocyclic inhibitor
Deposition date: 2017-12-29 Original release date: 2019-01-28
Authors: Gallo, M.; Eliseo, T.; Cicero, D.
Citation: Gallo, M.; Eliseo, T.; Monteagudo, E.; Sabetta, S.; Paci, M.; Summa, V.; Cicero, D.. "Solution structure of a last generation macrocyclic inhibitor. Hepatitis C virus NS3 protease complex: when S prime region occupancy is not enough to stabilize the protein conformation in the absence of NS4A." . ., .-..
Assembly members:
entity_1, polymer, 165 residues, 17444.971 Da.
entity_4P2, polymer, 5 residues, 775.953 Da.
entity_ZN, non-polymer, 65.409 Da.
Natural source: Common Name: Hepacivirus C Taxonomy ID: 31647 Superkingdom: Viruses Kingdom: not available Genus/species: Hepacivirus Hepacivirus C
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: TGRDKNQVEGEVQVVSTATQ
SFLATCVNGVCWTVYHGAGS
KTLAGPKGPITQMYTNVDQD
LVGWQAPPGARSLTPCTCGS
SDLYLVTRHADVIPVRRRGD
SRGSLLSPRPVSYLKGSSGG
PLLCPSGHAVGIFRAAVCTR
GVAKAVDFVPVESMETTMRA
SKKKK
entity_4P2: XXXXX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 519 |
| 15N chemical shifts | 137 |
| 1H chemical shifts | 918 |
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