Research workbench
Crystal structure of the ligand binding domain of human ppar-gamma in complex with the agonist az 242
Analyse Crystal structure of the ligand binding domain of human ppar-gamma in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1I7I
- Type
- protein
- Length
- 516 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator activated receptor gamma
- UniProt
- P37231
- Ligands
- AZ2
- Pockets
- 8 · best druggability 0.80
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 | 258 | 67% helix, 5% strand | P37231 |
| B | Peroxisome proliferator activated receptor gamma | protein | 258 | 65% helix, 5% strand | P37231 |
Ligands and binding sites
- AZ2 · (2S)-2-ethoxy-3-[4-(2-{4-[(methylsulfonyl)oxy]phenyl}ethoxy)phenyl]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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 585 | 0.80 | 0.85 | 62 | AZ2 |
| 2 | 507 | 0.79 | 0.85 | 49 | AZ2 |
| 3 | 343 | 0.64 | 0.79 | 39 | empty |
| 4 | 72 | 0.49 | 0.84 | 15 | empty |
| 5 | 207 | 0.46 | 0.74 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1020 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1I7I · Crystal structure of the ligand binding domain of human ppar-gamma in complex with the… · 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 1I7I · PDBe 1I7I · UniProt P37231
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