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PPARgamma LBD complexed with MRL24
Authors
Kojetin, D.
Assembly
PPARgamma LBD + MRL24
Entity
1. PPARgamma LBD (polymer, Thiol state: all free), 276 monomers, 31468.22 Da Detail

GQLNPESADL RALAKHLYDS YIKSFPLTKA KARAILTGKT TDKSPFVIYD MNSLMMGEDK IKFKHITPLQ EQSKEVAIRI FQGCQFRSVE AVQEITEYAK SIPGFVNLDL NDQVTLLKYG VHEIIYTMLA SLMNKDGVLI SEGQGFMTRE FLKSLRKPFG DFMEPKFEFA VKFNALELDD SDLAIFIAVI ILSGDRPGLL NVKPIEDIQD NLLQALELQL KLNHPESSQL FAKLLQKMTD LRQIVTEHVQ LLQVIKKTET DMSLHPLLQE IYKDLY


2. 241 (non-polymer), 527.488 Da
Total weight
31995.709 Da
Max. entity weight
31468.22 Da
Source organism
Homo sapiens
Exptl. method
SOLUTION NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 78.3 %, Completeness: 28.2 %, Completeness (bb): 55.7 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All28.2 % (953 of 3376)13.5 % (238 of 1757)39.8 % (526 of 1320)63.2 % (189 of 299)
Backbone55.7 % (903 of 1622)35.5 % (192 of 541)64.0 % (522 of 816)71.3 % (189 of 265)
Sidechain 9.1 % (183 of 2018) 3.8 % (46 of 1216)17.8 % (137 of 768) 0.0 % (0 of 34)
Aromatic 2.1 % (5 of 238) 4.2 % (5 of 119) 0.0 % (0 of 119)
Methyl 5.1 % (18 of 354) 2.3 % (4 of 177) 7.9 % (14 of 177)

1. PPARgamma LBD

GQLNPESADL RALAKHLYDS YIKSFPLTKA KARAILTGKT TDKSPFVIYD MNSLMMGEDK IKFKHITPLQ EQSKEVAIRI FQGCQFRSVE AVQEITEYAK SIPGFVNLDL NDQVTLLKYG VHEIIYTMLA SLMNKDGVLI SEGQGFMTRE FLKSLRKPFG DFMEPKFEFA VKFNALELDD SDLAIFIAVI ILSGDRPGLL NVKPIEDIQD NLLQALELQL KLNHPESSQL FAKLLQKMTD LRQIVTEHVQ LLQVIKKTET DMSLHPLLQE IYKDLY

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4


#NameIsotope labelingTypeConcentration
1PPARgamma LBD[U-100% 13C; U-100% 15N; U-80% 2H]1 mM
2MRL24natural abundance1 mM

LACS Plot; CA
Referencing offset: 0.69 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: 0.69 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: -0.22 ppm, Outliers: 1 Detail
Release date
2012-01-17
Citation
Ligand and receptor dynamics contribute to the mechanism of graded PPARĪ³ agonism
Hughes, T.S., Chalmers, M.J., Novick, S., Kuruvilla, D.S., Chang, M., Kamenecka, T.M., Rance, M., Johnson, B.A., Burris, T.P., Griffin, P.R., Kojetin, D.J.
Structure (2012), 20, 139-150, PubMed 22244763 , DOI 10.1016/j.str.2011.10.018 ,
Related entities 1. PPARgamma LBD, : 1 : 4 : 1 : 94 : 23 entities Detail
Interaction partners 1. PPARgamma LBD, : 33 interactors Detail
Experiments performed 7 experiments Detail