Download MendeleyBinding of PPAR(gamma) to MRL871
Leijten-van de Gevel, I.A., van Herk, K.H.N., de Vries, R.M.J.M., Brunsveld, L.To be published.
6TDC
PPAR gamma ligand binding domain in complex with MRL-871
- PDB DOI: https://doi.org/10.2210/pdb6TDC/pdb
- Classification: GENE REGULATION
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2019-11-08 Released: 2020-11-18
- Funding Organization(s): Netherlands Organisation for Scientific Research
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.33 ?
- R-Value Free: 0.239
- R-Value Work: 0.201
- R-Value Observed: 0.203
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 | 292 | 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 | |
| 4F1 (Subject of Investigation/LOI) Query on 4F1 | B [auth A] | 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid C22 H12 Cl F3 N2 O3 DANLZOIRUUHIIX-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | C [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.33 ?
- R-Value Free: 0.239
- R-Value Work: 0.201
- R-Value Observed: 0.203
- Space Group: P 63 2 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 93.142 | ¦Á = 90 |
| b = 93.142 | ¦Â = 90 |
| c = 130.574 | ¦Ă = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| DIALS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2020-11-18 Deposition Author(s): de Vries, R.M.J.M., Leijten-van de Gevel, I.A., van Herk, K.H.N., Brunsveld, L.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Netherlands Organisation for Scientific Research | Netherlands | 024.001.035 |
Revision History (Full details and data files)
- Version 1.0: 2020-11-18
Type: Initial release - Version 1.1: 2024-01-24
Changes: Data collection, Database references, Refinement description
