5c1u

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

spinqualitylabelsall models 5c1u, resolution 1.49Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5c1u is a 2 chain structure with sequence from Ev-71. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: GHV Related: 4ghq, 4ght, 5c1x, 5c1y, 5c20 Activity: Picornain 3C, with EC number 3.4.22.28 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [A9XG43_9ENTO] Protein 2C associates with and induces structural rearrangements of intracellular membranes. It displays RNA-binding, nucleotide binding and NTPase activities (By similarity).[SAAS:SAAS000199_004_016611] Protein 3C is a cysteine protease that generates mature viral proteins from the precursor polyprotein. In addition to its proteolytic activity, it binds to viral RNA, and thus influences viral genome replication. RNA and substrate bind co-operatively to the protease (By similarity).[SAAS:SAAS000199_004_042266] RNA-directed RNA polymerase 3D-POL replicates genomic and antigenomic RNA by recognizing replications specific signals (By similarity).[SAAS:SAAS000199_004_010047] Publication Abstract from PubMed Enterovirus 71 (EV71) is the causative agent of hand, foot and mouth disease and can spread its infections to the central nervous and other systems with severe consequences. The replication of EV71 depends on its 3C proteinase (3Cpro ), a significant drug target. By X-ray crystallography and functional assays, the interactions between inhibitors and EV71 3Cpro were evaluated. It was shown that improved interactions at S4 for the substrate binding could significantly enhance the potency. A new series of potent inhibitors with high ligand efficiency was generated for developing antivirals to treat and control the EV71-associated diseases. Copyright (c) 2016 John Wiley & Sons, Ltd. Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71.,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 J Mol Recognit. 2016 May 17. doi: 10.1002/jmr.2551. PMID:27185390 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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