Download MendeleyUnanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Shang, J., Kojetin, D.J.(2024) Elife
8ZFP
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and MRL24
- PDB DOI: https://doi.org/10.2210/pdb8ZFP/pdb
- Classification: TRANSCRIPTION
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2024-05-08 Released: 2024-08-07
- Funding Organization(s): National Institutes of Health/National Institute of Diabetes and Digestive and Kidney Disease (NIH/NIDDK)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.48 Å
- R-Value Free: 0.303
- R-Value Work: 0.237
- R-Value Observed: 0.240
Starting Model: experimental
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This is version 1.1 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| 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 | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 241 (Subject of Investigation/LOI) Query on 241 | D [auth A], F [auth B] | (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID C28 H24 F3 N O6 OFCWBJAYEIROGZ-KRWDZBQOSA-N |  | ||
| GW9 (Subject of Investigation/LOI) Query on GW9 | C [auth A], E [auth B] | 2-chloro-5-nitro-N-phenylbenzamide C13 H9 Cl N2 O3 DNTSIBUQMRRYIU-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.48 Å
- R-Value Free: 0.303
- R-Value Work: 0.237
- R-Value Observed: 0.240
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 91.844 | α = 90 |
| b = 62.221 | β = 102.28 |
| c = 119.237 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SCALA | data scaling |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| DIALS | data reduction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-08-07 Deposition Author(s): Shang, J., Kojetin, D.J.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of Diabetes and Digestive and Kidney Disease (NIH/NIDDK) | United States | R01DK124870 |
Revision History (Full details and data files)
- Version 1.0: 2024-08-07
Type: Initial release - Version 1.1: 2024-11-20
Changes: Structure summary
