Research workbench
Human ppar delta ligand binding domain in complex with a synthetic agonist TIPP401
Analyse Human ppar delta ligand binding domain in complex with a synthetic agonist… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ZNQ
- Type
- protein
- Length
- 522 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor delta
- UniProt
- Q03181
- Ligands
- B7G, 401
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor delta | protein | 262 | 67% helix, 5% strand | Q03181 |
| B | Peroxisome proliferator-activated receptor delta | protein | 260 | 70% helix, 5% strand | Q03181 |
Ligands and binding sites
- B7G · heptyl beta-D-glucopyranoside · ligand · 2 copies · chains A, B
- 401 · (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 470 | 0.82 | 0.88 | 44 | 401 |
| 2 | 505 | 0.82 | 0.88 | 49 | 401 |
| 3 | 386 | 0.71 | 0.82 | 40 | B7G |
| 4 | 95 | 0.42 | 0.78 | 18 | empty |
| 5 | 77 | 0.42 | 0.79 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 777 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2ZNQ · Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP401 · 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 2ZNQ · PDBe 2ZNQ · UniProt Q03181
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.