2D2D

Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2

Replaces:  1WNQ

Summary for 2D2D

• Entry DOI: 10.2210/pdb2d2d/pdb
• Related: 1UJ1 1WOF
• Descriptor: 3C-like proteinase, ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE (3 entities in total)
• Functional Keywords: anti-parallel b-barrel, anti-parallel a-helices, hydrolase
• Biological source: SARS coronavirus
• 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). Helicase: Host endoplasmic reticulum-Golgi intermediate compartment (Potential). Uridylate-specific endoribonuclease: Host cytoplasm, host perinuclear region (By similarity): P59641
• Total number of polymer chains: 2
• Total formula weight: 69693.50

Authors

Yang, H.,Bartlam, M.,Xue, X.,Yang, K.,Liang, W.,Ding, Y.,Rao, Z. (deposition date: 2005-09-08, release date: 2005-09-20, Last modification date: 2011-07-13)

• Primary citation: Yang, H.,Xie, W.,Xue, X.,Yang, K.,Ma, J.,Liang, W.,Zhao, Q.,Zhou, Z.,Pei, D.,Ziebuhr, J.,Hilgenfeld, R.,Yuen, K.Y.,Wong, L.,Gao, G.,Chen, S.,Chen, Z.,Ma, D.,Bartlam, M.,Rao, Z.; Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.; Plos Biol., 3:324-334, 2005; PubMed: 16128623; DOI: 10.1371/journal.pbio.0030324

Experimental method

X-RAY DIFFRACTION (2.7 Å)