MolNFT v1 · #56694 · protein
Human ppar delta ligand binding domain in complex with a synthetic agonist TIPP204
2ZNP · Peroxisome proliferator-activated receptor delta: “Human ppar delta ligand binding domain in complex with a synthetic agonist TIPP204”. X-ray diffraction, 2 ligands (B7G, K55), 4 pockets (best druggability 0.82). MolNFT v1 #56694 on…
- PDB
- 2ZNP
- Type
- protein
- Length
- 521 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, K55
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor delta | protein | 259 | 67% helix, 5% strand | Q03181 |
| B | Peroxisome proliferator-activated receptor delta | protein | 262 | 70% helix, 5% strand | Q03181 |
Ligands and binding sites
- B7G · heptyl beta-D-glucopyranoside · ligand · 2 copies · chains A, B
- K55 · (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl) phenyl]carbonyl}amino)methyl]benzyl}butanoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 467 | 0.82 | 0.88 | 50 | K55 |
| 2 | 515 | 0.81 | 0.87 | 46 | K55 |
| 3 | 440 | 0.72 | 0.82 | 41 | B7G |
| 4 | 74 | 0.39 | 0.78 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 767 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2ZNP · Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP204 · 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 2ZNP · PDBe 2ZNP · UniProt Q03181
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