6DHA

Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Hydroxy Pioglitazone (M-IV)

Summary for 6DHA

DescriptorPeroxisome proliferator-activated receptor gamma, Hydroxy Pioglitazone (M-IV), nonanoic acid, ... (4 entities in total)
Functional Keywordsnuclear receptors, tzds, drug design, therapeutic targets, transcription, transcription-transcription inhibitor complex, transcription/transcription inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight63055.39
Authors
Shang, J.,Mosure, S.A.,Kojetin, D.J. (deposition date: 2018-05-18, release date: 2019-03-13)
Primary citation
Mosure, S.A.,Shang, J.,Eberhardt, J.,Brust, R.,Zheng, J.,Griffin, P.R.,Forli, S.,Kojetin, D.J.
Structural Basis of Altered Potency and Efficacy Displayed by a Major in Vivo Metabolite of the Antidiabetic PPAR gamma Drug Pioglitazone.
J. Med. Chem., 62:2008-2023, 2019
PubMed: 30676741 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.8b01573
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.88 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.25611 1.2% 2.6% 6.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6dha
no rotation
Molmil generated image of 6dha
rotated about x axis by 90°
Molmil generated image of 6dha
rotated about y axis by 90°

More Biological unit images

Molmil generated image of 6dha
no rotation
Molmil generated image of 6dha
rotated about x axis by 90°
Molmil generated image of 6dha
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 (6dha.pdb2.gz [47.16 KB])
Coordinate files for Biological unit (6dha.pdb1.gz [46.83 KB])