Crystal structure of human TLR8 in complex with DS-802

Summary for 4QBZ

DescriptorToll-like receptor 8, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ... (6 entities in total)
Functional Keywordsleucine rich repeat, glycosylation, innate immunity, rna recognition, ssrna, rna binding, secreted, structure-based ligand design, tlr8 and tlr7 agonist, vaccine adjuvants, rna receptor, antiviral and antitumor drug binding, rna binding protein
Biological sourceHomo sapiens (human)
Cellular locationMembrane ; Single-pass type I membrane protein  Q9NR97
Total number of polymer chains2
Total molecular weight192502.19
Tanji, H.,Ohto, U.,Shimizu, T. (deposition date: 2014-05-09, release date: 2014-10-22)
Primary citation
Yoo, E.,Salunke, D.B.,Sil, D.,Guo, X.,Salyer, A.C.D.,Hermanson, A.R.,Kumar, M.,Malladi, S.S.,Balakrishna, R.,Thompson, W.H.,Tanji, H.,Ohto, U.,Shimizu, T.,David, S.A.
Determinants of Activity at Human Toll-like Receptors 7 and 8: Quantitative Structure-Activity Relationship (QSAR) of Diverse Heterocyclic Scaffolds
J.Med.Chem., 57:7955-7970, 2014
PubMed: 25192394 (PDB entries with the same primary citation)
DOI: 10.1021/jm500744f
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.27040.5%5.3%4.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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