MolNFT v1 · #140187 · protein
Structure of ppargamma ligand binding domain-pioglitazone complex
5Y2O · Peroxisome proliferator-activated receptor gamma: “Structure of ppargamma ligand binding domain-pioglitazone complex”. X-ray diffraction, 1 ligand (8N6), 8 pockets (best druggability 0.82). MolNFT v1 #140187 on GenesisL1: 3D…
- PDB
- 5Y2O
- Type
- protein
- Length
- 519 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- 8N6
- Pockets
- 8 · best druggability 0.82
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 | 262 | 68% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 257 | 67% helix, 5% strand | P37231 |
Ligands and binding sites
- 8N6 · (5S)-5-[[4-[2-(5-ethylpyridin-2-yl) ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione · 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 785 | 0.82 | 0.84 | 73 | empty |
| 2 | 458 | 0.76 | 0.84 | 54 | 8N6 |
| 3 | 157 | 0.60 | 0.84 | 27 | empty |
| 4 | 200 | 0.57 | 0.80 | 28 | empty |
| 5 | 201 | 0.52 | 0.77 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1010 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 5Y2O · Structure of PPARgamma ligand binding domain-pioglitazone complex · 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 5Y2O · PDBe 5Y2O · UniProt P37231
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