Research workbench
Ligand binding domain of ppar delta receptor in complex with a partial agonist
Analyse Ligand binding domain of ppar delta receptor in complex with a partial agonist in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Q5G
- Type
- protein
- Length
- 479 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor delta
- UniProt
- Q03181
- Ligands
- 1FA
- Pockets
- 2 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor delta | protein | 244 | 66% helix, 5% strand | Q03181 |
| B | Peroxisome proliferator-activated receptor delta | protein | 235 | 69% helix, 6% strand | Q03181 |
Ligands and binding sites
- 1FA · [(7-{[2-(3-morpholin-4-ylprop-1-yn-1-yl)-6-{[4-(trifluoromethyl)phenyl]ethynyl}pyridin-4-yl]thio}-2,3-dihydro-1H-inden- 4-yl)oxy]acetic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 950 | 0.80 | 0.81 | 79 | 1FA |
| 2 | 522 | 0.78 | 0.85 | 49 | 1FA |
Interfaces
1 interface between chains.
- A–B · 649 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2Q5G · Ligand binding domain of PPAR delta receptor in complex with a partial agonist · 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 Q03181
- Elsewhere: RCSB PDB 2Q5G · PDBe 2Q5G · UniProt Q03181
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