Research workbench
Structure of ppargamma with 3-(5-methoxy-1H-indol-3-yl)-propionic acid
Analyse Structure of ppargamma with 3-(5-methoxy-1H-indol-3-yl)-propionic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ET0
- 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
- ET0, GLC
- Pockets
- 8 · best druggability 0.79
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 | 260 | 69% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 259 | 67% helix, 5% strand | P37231 |
Ligands and binding sites
- ET0 · 3-(5-methoxy-1H-indol-3-yl)propanoic acid · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · chains 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 | 380 | 0.79 | 0.88 | 49 | ET0 |
| 2 | 352 | 0.74 | 0.85 | 49 | GLC |
| 3 | 568 | 0.71 | 0.79 | 65 | empty |
| 4 | 170 | 0.58 | 0.82 | 25 | empty |
| 5 | 194 | 0.50 | 0.77 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 935 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (artifact).
Compared structures
- 3ET0 · Structure of PPARgamma with 3-(5-Methoxy-1H-indol-3-yl)-propionic acid · 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 3ET0 · PDBe 3ET0 · UniProt P37231
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