MolNFT v1 · #65435 · protein
Molecular recognition of fatty acids by peroxisome proliferator-activated receptors
3GWX · Protein (peroxisome proliferator activated receptor…: “Molecular recognition of fatty acids by peroxisome proliferator-activated receptors”. X-ray diffraction, 1 ligand (EPA), 6 pockets (best druggability 0.85). MolNFT v1 #65435 on…
- PDB
- 3GWX
- Type
- protein
- Length
- 541 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (peroxisome proliferator activated receptor (ppar-delta))
- UniProt
- Q03181
- Ligands
- EPA
- Pockets
- 6 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 61% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (peroxisome proliferator activated receptor (ppar-delta)) | protein | 270 | 64% helix, 4% strand | Q03181 |
| B | Protein (peroxisome proliferator activated receptor (ppar-delta)) | protein | 271 | 58% helix, 4% strand | Q03181 |
Ligands and binding sites
- EPA · 5,8,11,14,17-eicosapentaenoic 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 547 | 0.85 | 0.90 | 57 | EPA |
| 2 | 579 | 0.83 | 0.88 | 57 | EPA |
| 3 | 68 | 0.36 | 0.76 | 13 | empty |
| 4 | 68 | 0.34 | 0.76 | 14 | empty |
| 5 | 64 | 0.33 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 213 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3GWX · Molecular recognition of fatty acids by peroxisome proliferator-activated receptors · 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 3GWX · PDBe 3GWX · UniProt Q03181
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