6FE6

Solution structure of a last generation P2-P4 macrocyclic inhibitor

Summary for 6FE6

• Entry DOI: 10.2210/pdb6fe6/pdb
• NMR Information: BMRB: 34225
• Descriptor: Non-structural 3 protease, (3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide, ZINC ION (3 entities in total)
• Functional Keywords: ns3 protease, inhibitor, complex, hcv, viral protein
• Biological source: Hepatitis C virus subtype 1b
• Total number of polymer chains: 1
• Total formula weight: 18286.33

Authors

Gallo, M.,Eliseo, T.,Cicero, D.O. (deposition date: 2017-12-29, release date: 2019-01-30, Last modification date: 2019-05-08)

• Primary citation: Gallo, M.,Eliseo, T.,Monteagudo, E.S.,Sabetta, S.,Paci, M.,Summa, V.,Cicero, D.O.; 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.; To Be Published,

Experimental method

SOLUTION NMR