Download MendeleyCrystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437
Shang, J., Kojetin, D.J.To be published.
8FHF
Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437
- PDB DOI: https://doi.org/10.2210/pdb8FHF/pdb
- Classification: TRANSCRIPTION
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2022-12-14 Released: 2024-03-20
- 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: 2.10 ?
- R-Value Free: 0.285
- R-Value Work: 0.233
- R-Value Observed: 0.236
Starting Model: experimental
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This is version 1.1 of the entry. See complete history.
Literature
To be published.
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 | |
| XZK Query on XZK | C [auth A], E [auth B] | N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide C14 H10 Cl N3 O4 KKGNLIYEFKWUEM-UHFFFAOYSA-N |  | ||
| KNA (Subject of Investigation/LOI) Query on KNA | D [auth A], F [auth B] | nonanoic acid C9 H18 O2 FBUKVWPVBMHYJY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 ?
- R-Value Free: 0.285
- R-Value Work: 0.233
- R-Value Observed: 0.236
- Space Group: C 1 2 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 91.635 | ¦Á = 90 |
| b = 60.695 | ¦Â = 102.51 |
| c = 117.076 | ¦Ă = 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: 2024-03-20 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 | 6R01DK124870 |
Revision History (Full details and data files)
- Version 1.0: 2024-03-20
Type: Initial release - Version 1.1: 2024-10-16
Changes: Structure summary
