3AN3

Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO3S

Summary for 3AN3

Related3AN4
DescriptorPeroxisome proliferator-activated receptor gamma, (2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid (3 entities in total)
Functional Keywordsmainly alpha, nuclear receptor, transcription
Biological sourceHomo sapiens (human)
Cellular locationNucleus P37231
Total number of polymer chains2
Total molecular weight65627.05
Authors
Oyama, T.,Ohashi, M.,Waku, T.,Miyachi, H.,Morikawa, K. (deposition date: 2010-08-30, release date: 2011-07-27)
Primary citation
Ohashi, M.,Oyama, T.,Nakagome, I.,Satoh, M.,Nishio, Y.,Nobusada, H.,Hirono, S.,Morikawa, K.,Hashimoto, Y.,Miyachi, H.
Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54:331-341, 2011
PubMed: 21128600 (PDB entries with the same primary citation)
DOI: 10.1021/jm101233f
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.3 Å)
NMR Information
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.276192.0%2.6%6.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 3an3
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Molmil generated image of 3an3
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Molmil generated image of 3an3
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More Biological unit images

Molmil generated image of 3an3
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Molmil generated image of 3an3
rotated about x axis by 90°
Molmil generated image of 3an3
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (3an3.pdb2.gz [88.7 KB])
Coordinate files for Biological unit (3an3.pdb1.gz [88.18 KB])