Human PPAR alpha ligand binding domain in complex with a synthetic agonist APHM13

Summary for 3VI8

DescriptorPeroxisome proliferator-activated receptor alpha, (2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid (3 entities in total)
Functional Keywordsnuclear receptor, protein-ligand complex, ppar, transcription
Biological sourceHomo sapiens (human)
Cellular locationNucleus Q07869
Total number of polymer chains1
Total molecular weight31321.59
Oyama, T.,Miyachi, H.,Morikawa, K. (deposition date: 2011-09-25, release date: 2012-08-29, Last modification date: 2016-03-02)
Primary citation
Kuwabara, N.,Oyama, T.,Tomioka, D.,Ohashi, M.,Yanagisawa, J.,Shimizu, T.,Miyachi, H.
Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype
J.Med.Chem., 55:893-902, 2012
PubMed: 22185225 (PDB entries with the same primary citation)
DOI: 10.1021/jm2014293
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.247801.8%5.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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