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 Cited by PubMed: 16860823DOI: 10.1016/j.jmb.2006.06.047 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.4 Å) |
Structure validation
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