Research workbench
X-ray crystal structure of the nuclear hormone receptor ppar-gamma in a complex with a ppar GAMMA/ALPHA dual agonist
Analyse X-ray crystal structure of the nuclear hormone receptor ppar-gamma in a complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Q8S
- Type
- protein
- Length
- 507 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- L92
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 65% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 253 | 66% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 254 | 65% helix, 5% strand | P37231 |
Ligands and binding sites
- L92 · (2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(1H-pyrrol-1-yl)propanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 819 | 0.80 | 0.83 | 77 | empty |
| 2 | 457 | 0.77 | 0.85 | 52 | L92 |
| 3 | 119 | 0.59 | 0.85 | 18 | empty |
| 4 | 256 | 0.54 | 0.76 | 23 | empty |
| 5 | 160 | 0.46 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1021 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2Q8S · X-ray Crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P37231
- Elsewhere: RCSB PDB 2Q8S · PDBe 2Q8S · UniProt P37231
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