Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Shang, J., Kojetin, D.J.(2024) Elife 
Experimental Data Snapshot
Starting Model: experimental
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(2024) Elife 
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Peroxisome proliferator-activated receptor gamma | 275 | Homo sapiens | Mutation(s): 0  Gene Names: PPARG, NR1C3 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P37231 (Homo sapiens) Explore P37231  Go to UniProtKB:  P37231 | |||||
PHAROS:  P37231 GTEx:  ENSG00000132170  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P37231 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 2 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NZA (Subject of Investigation/LOI) Query on NZA | D [auth B] | 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID C22 H15 Cl2 N O2 S VUPOTURDKDMIGQ-UHFFFAOYSA-N | |||
EEY (Subject of Investigation/LOI) Query on EEY | C [auth B] | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide C12 H8 Cl N3 O3 FRPJSHKMZHWJBE-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
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a = 93.022 | α = 90 |
b = 62.161 | β = 102.14 |
c = 119.461 | γ = 90 |
Software Name | Purpose |
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SCALA | data scaling |
PHENIX | refinement |
PDB_EXTRACT | data extraction |
DIALS | data reduction |
PHASER | phasing |
Funding Organization | Location | Grant Number |
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National Institutes of Health/National Institute of Diabetes and Digestive and Kidney Disease (NIH/NIDDK) | United States | R01DK124870 |