5VLI

Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934)

Summary for 5VLI

DescriptorHemagglutinin, Computationally designed peptide HB1.6928.2.3, N-ACETYL-D-GLUCOSAMINE, ... (8 entities in total)
Functional Keywordsinhibitor, protein design, influenza, hemagglutinin, viral protein-de novo protein complex, viral protein/de novo protein
Biological sourceInfluenza A virus (strain A/Puerto Rico/8/1934 H1N1)
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Cellular locationVirion membrane ; Single-pass type I membrane protein  P03452 P03452
Total number of polymer chains3
Total molecular weight63201.84
Authors
Bernard, S.M.,Wilson, I.A. (deposition date: 2017-04-25, release date: 2017-09-27, Last modification date: 2017-10-18)
Primary citation
Chevalier, A.,Silva, D.A.,Rocklin, G.J.,Hicks, D.R.,Vergara, R.,Murapa, P.,Bernard, S.M.,Zhang, L.,Lam, K.H.,Yao, G.,Bahl, C.D.,Miyashita, S.I.,Goreshnik, I.,Fuller, J.T.,Koday, M.T.,Jenkins, C.M.,Colvin, T.,Carter, L.,Bohn, A.,Bryan, C.M.,Fernandez-Velasco, D.A.,Stewart, L.,Dong, M.,Huang, X.,Jin, R.,Wilson, I.A.,Fuller, D.H.,Baker, D.
Massively parallel de novo protein design for targeted therapeutics.
Nature, 550:74-79, 2017
PubMed: 28953867 (PDB entries with the same primary citation)
DOI: 10.1038/nature23912
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.799 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.213201.3%4.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution