2H6M

An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors

Summary for 2H6M

• Entry DOI: 10.2210/pdb2h6m/pdb
• Related: 1HAV 1QA7 2A4O 2CXV
• Related PRD ID: PRD_000423
• Descriptor: Picornain 3C, N-ACETYL-LEUCYL-ALANYL-ALANYL-(N,N-DIMETHYL)-GLUTAMINE-(1,4-DIOXO-3,4-DIHYDRO-1H-PHTHALAZIN-2-YL)METHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, ... (4 entities in total)
• Functional Keywords: beta barrel, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Hepatitis A virus
• Cellular location: Protein VP2: Virion (By similarity). Protein VP3: Virion (By similarity). Protein VP1: Virion (By similarity). Protein VP1-2A: Virion (By similarity). Protein 2B: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). Protein 2C: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). Protein 3ABC: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). Protein 3AB: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). Protein 3A: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). Protein 3B: Virion (Potential). Picornain 3C: Host cytoplasm (Potential). RNA-directed RNA polymerase 3D-POL: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential): P06441
• Total number of polymer chains: 2
• Total formula weight: 23983.64

Authors

Yin, J.,Cherney, M.M.,Bergmann, E.M.,James, M.N. (deposition date: 2006-05-31, release date: 2006-08-08, Last modification date: 2021-10-20)

• Primary citation: Yin, J.,Cherney, M.M.,Bergmann, E.M.,Zhang, J.,Huitema, C.,Pettersson, H.,Eltis, L.D.,Vederas, J.C.,James, M.N.; An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors.; J.Mol.Biol., 361:673-686, 2006; PubMed: 16860823; DOI: 10.1016/j.jmb.2006.06.047

Experimental method

X-RAY DIFFRACTION (1.4 Å)