Crystal structure of HCV NS3 protease with a boronate inhibitor

Summary for 2XCF

DescriptorNS3 PROTEASE, NS4A, ZINC ION, ... (6 entities in total)
Functional Keywordsprotease, boronate inhibitor, viral reproduction, hydrolase
Biological sourceHEPATITIS C VIRUS
Total number of polymer chains4
Total molecular weight47604.93
Primary citation
Li, X.,Zhang, Y.-K.,Liu, Y.,Ding, C.Z.,Li, Q.,Zhou, Y.,Plattner, J.J.,Baker, S.J.,Qian, X.,Fan, D.,Liao, L.,Ni, Z.-J.,White, G.V.,Mordaunt, J.E.,Lazarides, L.X.,Slater, M.J.,Jarvest, R.L.,Edge, C.M.,Hubbard, J.A.,Nassau, P.,Mcdowell, B.,Skarzynski, T.J.,Thommes, P.,Ellis, M.,Rowland, P.,Somers, D.O.,Kazmierski, W.M.,Grimes, R.M.,Wright, L.L.,Smith, G.K.,Zou, W.,Wright, J.,Pennicott, L.E.
Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20:3550-, 2010
PubMed: 20493689 (PDB entries with the same primary citation)
DOI: 10.1016/J.BMCL.2010.04.129
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22030 4.4% 0.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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