Research workbench
Human ppar delta ligand binding domain in complex with a synthetic agonist H11
Analyse Human ppar delta ligand binding domain in complex with a synthetic agonist H11 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7W0G
- Type
- protein
- Length
- 538 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor delta
- UniProt
- Q03181
- Ligands
- 85B
- Pockets
- 5 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Peroxisome proliferator-activated receptor delta | protein | 269 | 65% helix, 5% strand | Q03181 |
Ligands and binding sites
- 85B · 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 459 | 0.84 | 0.91 | 51 | 85B |
| 2 | 493 | 0.83 | 0.89 | 53 | 85B |
| 3 | 394 | 0.67 | 0.80 | 40 | empty |
| 4 | 162 | 0.58 | 0.82 | 23 | empty |
| 5 | 58 | 0.30 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 629 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7W0G · Human PPAR delta ligand binding domain in complex with a synthetic agonist H11 · 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 7W0G · PDBe 7W0G · UniProt Q03181
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