5C1U

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

Summary for 5C1U

Related4GHQ 4GHT 5C1X 5C1Y 5C20
Descriptor3C proteinase, Nalpha-{(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide (3 entities in total)
Functional Keywordshydrolase, cysteine proteinase, inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceEnterovirus A71
Cellular locationHost cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Virion  A9XG43
Total number of polymer chains2
Total molecular weight43736.1
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: 2016-10-26)
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 (PDB entries with the same primary citation)
DOI: 10.1002/jmr.2551
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.49 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.20960.3%1.3%1.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution