MolNFT v1 · #55278 · protein
Ligand binding domain of human ppar gamma in complex with amorfrutin 1
2YFE · Peroxisome proliferator-activated receptor gamma: “Ligand binding domain of human ppar gamma in complex with amorfrutin 1”. X-ray diffraction, 1 ligand (YFE), 8 pockets (best druggability 0.80). MolNFT v1 #55278 on GenesisL1: 3D…
- PDB
- 2YFE
- Type
- protein
- Length
- 528 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- YFE
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 264 | 69% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 264 | 67% helix, 5% strand | P37231 |
Ligands and binding sites
- YFE · Amorfrutin 1 · 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 725 | 0.80 | 0.84 | 81 | YFE |
| 2 | 409 | 0.74 | 0.84 | 46 | YFE |
| 3 | 206 | 0.65 | 0.83 | 21 | empty |
| 4 | 155 | 0.56 | 0.82 | 25 | empty |
| 5 | 228 | 0.56 | 0.78 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 966 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 2YFE · Ligand binding domain of human PPAR gamma in complex with amorfrutin 1 · 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 2YFE · PDBe 2YFE · UniProt P37231
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.