5C1U

Crystal structure of EV71 3C Proteinase in complex with Compound Xb

Summary for 5C1U

• Entry DOI: 10.2210/pdb5c1u/pdb
• Related: 4GHQ 4GHT 5C1X 5C1Y 5C20
• Descriptor: 3C proteinase, (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide (3 entities in total)
• Functional Keywords: hydrolase, cysteine proteinase, inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Enterovirus A71
• Total number of polymer chains: 2
• Total formula weight: 43740.13

Authors

Zhang, L.,Huang, G.,Cai, Q.,Zhao, C.,Ren, H.,Li, P.,Li, N.,Chen, S.,Li, J.,Lin, T. (deposition date: 2015-06-15, release date: 2016-06-01, Last modification date: 2023-11-08)

• Primary citation: Zhang, L.,Huang, G.,Cai, Q.,Zhao, C.,Tang, L.,Ren, H.,Li, P.,Li, N.,Huang, J.,Chen, X.,Guan, Y.,You, H.,Chen, S.,Li, J.,Lin, T.; Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71; J.Mol.Recognit., 29:520-527, 2016; PubMed: 27185390; DOI: 10.1002/jmr.2551

Experimental method

X-RAY DIFFRACTION (1.49 Å)