Structure of the SARS-CoV-2 S 6P trimer in complex with the ACE2 protein decoy, CTC-445.2 (State 4)

Summary for 7KL9

EMDB information22916
DescriptorSpike glycoprotein, CTC-445.2 inhibitor, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (4 entities in total)
Functional Keywordssars-cov-2, ace2 decoy, mini-protein, inhibitor, covid-19, antiviral protein
Biological sourceSevere acute respiratory syndrome coronavirus 2 (2019-nCoV)
Total number of polymer chains6
Total molecular weight476488.16
Barnes, C.O.,Bjorkman, P.J. (deposition date: 2020-10-29, release date: 2020-11-11, Last modification date: 2020-11-25)
Primary citation
Linsky, T.W.,Vergara, R.,Codina, N.,Nelson, J.W.,Walker, M.J.,Su, W.,Barnes, C.O.,Hsiang, T.Y.,Esser-Nobis, K.,Yu, K.,Reneer, Z.B.,Hou, Y.J.,Priya, T.,Mitsumoto, M.,Pong, A.,Lau, U.Y.,Mason, M.L.,Chen, J.,Chen, A.,Berrocal, T.,Peng, H.,Clairmont, N.S.,Castellanos, J.,Lin, Y.R.,Josephson-Day, A.,Baric, R.S.,Fuller, D.H.,Walkey, C.D.,Ross, T.M.,Swanson, R.,Bjorkman, P.J.,Gale Jr., M.,Blancas-Mejia, L.M.,Yen, H.L.,Silva, D.A.
De novo design of potent and resilient hACE2 decoys to neutralize SARS-CoV-2.
Science, 2020
PubMed: 33154107 (PDB entries with the same primary citation)
DOI: 10.1126/science.abe0075
MImport into Mendeley
Experimental method

Structure validation

ClashscoreRamachandran outliersSidechain outliers30 0.2% 0.5%MetricValuePercentile RanksWorseBetterPercentile relative to all structuresPercentile relative to all EM structures
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PDB entries from 2020-11-25