3MJ5

Severe Acute Respiratory Syndrome-Coronavirus Papain-Like Protease Inhibitors: Design, Synthesis, Protein-Ligand X-ray Structure and Biological Evaluation

Summary for 3MJ5

• Entry DOI: 10.2210/pdb3mj5/pdb
• Related: 2FE8 3E9S
• Descriptor: Replicase polyprotein 1a, N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, ZINC ION, ... (4 entities in total)
• Functional Keywords: non-covalent inhibitor, cysteine protease, sars coronavirus, zinc-finger, viral protein
• Biological source: SARS coronavirus (SARS-CoV)
• Cellular location: Non-structural protein 3: Host membrane; Multi-pass membrane protein (Potential). Non-structural protein 4: Host membrane; Multi-pass membrane protein (Potential). Non-structural protein 6: Host membrane; Multi-pass membrane protein (Potential). Non-structural protein 7: Host cytoplasm, host perinuclear region (By similarity). Non-structural protein 8: Host cytoplasm, host perinuclear region (By similarity). Non-structural protein 9: Host cytoplasm, host perinuclear region (By similarity). Non-structural protein 10: Host cytoplasm, host perinuclear region (By similarity): P0C6U8
• Total number of polymer chains: 2
• Total formula weight: 72004.39

Authors

Mesecar, A.D.,Ratia, K.M.,Pegan, S.D. (deposition date: 2010-04-12, release date: 2010-06-30, Last modification date: 2024-03-13)

• Primary citation: Ghosh, A.K.,Takayama, J.,Rao, K.V.,Ratia, K.,Chaudhuri, R.,Mulhearn, D.C.,Lee, H.,Nichols, D.B.,Baliji, S.,Baker, S.C.,Johnson, M.E.,Mesecar, A.D.; Severe acute respiratory syndrome coronavirus papain-like novel protease inhibitors: design, synthesis, protein-ligand X-ray structure and biological evaluation; J.Med.Chem., 53:4968-4979, 2010; PubMed: 20527968; DOI: 10.1021/jm1004489

Experimental method

X-RAY DIFFRACTION (2.63 Å)