MolNFT v1 · #67089 · protein
X-ray crystal structure of the nuclear hormone receptor ppar-gamma in a complex with a ppar GAMMA/ALPHA dual agonist
3IA6 · Peroxisome proliferator-activated receptor gamma: “X-ray crystal structure of the nuclear hormone receptor ppar-gamma in a complex with a ppar GAMMA/ALPHA dual…”. X-ray diffraction, 1 ligand (UNT), 8 pockets (best druggability…
- PDB
- 3IA6
- Type
- protein
- Length
- 509 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- UNT
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 66% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 254 | 65% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 255 | 67% helix, 5% strand | P37231 |
Ligands and binding sites
- UNT · (2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid · ligand · 2 copies · chains A, B
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 | 794 | 0.81 | 0.83 | 63 | UNT |
| 2 | 460 | 0.78 | 0.85 | 57 | UNT |
| 3 | 116 | 0.63 | 0.88 | 21 | empty |
| 4 | 235 | 0.54 | 0.77 | 29 | empty |
| 5 | 121 | 0.49 | 0.80 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 997 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3IA6 · 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 3IA6 · PDBe 3IA6 · UniProt P37231
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