Crystal structure of the human TLR2-Diprovocim complex

Summary for 6NIG

DescriptorToll-like receptor 2,Variable lymphocyte receptor B, (3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide}, N-ACETYL-D-GLUCOSAMINE, ... (4 entities in total)
Functional Keywordstoll-like receptors, innate immune agonist, immune system-agonist complex, immune system/agonist
Biological sourceHomo sapiens (Human)
Total number of polymer chains4
Total molecular weight268507.44
Zhang, H.,Beutler, B.A.,Tomchick, D.R.,Su, L. (deposition date: 2018-12-27, release date: 2019-04-17)
Primary citation
Su, L.,Wang, Y.,Wang, J.,Mifune, Y.,Morin, M.D.,Jones, B.T.,Moresco, E.M.Y.,Boger, D.L.,Beutler, B.,Zhang, H.
Structural Basis of TLR2/TLR1 Activation by the Synthetic Agonist Diprovocim.
J. Med. Chem., 62:2938-2949, 2019
PubMed: 30829478 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.8b01583
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2474 0.1% 0.7% 14.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution