MolNFT v1 · #31389 · protein
Crystal structure of the ligand binding domain of human ppar-gamma im complex with an agonist
2ATH · Peroxisome proliferator activated receptor gamma: “Crystal structure of the ligand binding domain of human ppar-gamma im complex with an agonist”. X-ray diffraction, 1 ligand (3EA), 6 pockets (best druggability 0.85). MolNFT v1…
- PDB
- 2ATH
- Type
- protein
- Length
- 542 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator activated receptor gamma
- UniProt
- P37231
- Ligands
- 3EA
- Pockets
- 6 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 66% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Peroxisome proliferator activated receptor gamma | protein | 271 | 66% helix, 5% strand | P37231 |
Ligands and binding sites
- 3EA · 2-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]indol-1-yl}ethanoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 806 | 0.85 | 0.87 | 77 | 3EA |
| 2 | 776 | 0.84 | 0.87 | 83 | 3EA |
| 3 | 229 | 0.73 | 0.88 | 24 | empty |
| 4 | 260 | 0.57 | 0.78 | 33 | empty |
| 5 | 158 | 0.43 | 0.75 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 864 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2ATH · Crystal structure of the ligand binding domain of human PPAR-gamma im complex with an… · 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 2ATH · PDBe 2ATH · UniProt P37231
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