MolNFT v1 · #56692 · protein
Human ppar alpha ligand binding domain in complex with a synthetic agonist TIPP703
2ZNN · Peroxisome proliferator-activated receptor alpha: “Human ppar alpha ligand binding domain in complex with a synthetic agonist TIPP703”. X-ray diffraction, 1 ligand (S44), 2 pockets (best druggability 0.85). MolNFT v1 #56692 on…
- PDB
- 2ZNN
- Type
- protein
- Length
- 258 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor alpha
- UniProt
- Q07869
- Ligands
- S44
- Pockets
- 2 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor alpha | protein | 258 | 69% helix, 5% strand | Q07869 |
Ligands and binding sites
- S44 · (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl) amino]methyl}benzyl)butanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 545 | 0.85 | 0.90 | 54 | S44 |
| 2 | 52 | 0.28 | 0.75 | 12 | empty |
Compared structures
- 2ZNN · Human PPAR alpha ligand binding domain in complex with a synthetic agonist TIPP703 · the same entry in another collection · chain A against A, TM-score 1.00
- Q07869 · AlphaFold monomer V2.0 prediction for peroxisome proliferator- activated receptor alpha… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q07869
- Elsewhere: RCSB PDB 2ZNN · PDBe 2ZNN · UniProt Q07869
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