MolNFT v1 · #65516 · protein
Crystal structure of peroxisome proliferator-activated receptor delta (ppard) in complex with a full agonist
3GZ9: “Crystal structure of peroxisome proliferator-activated receptor delta (ppard) in complex with a full agonist”. X-ray diffraction, 2 ligands (B7G, D32), 4 pockets (best druggability 0.85). MolNFT v1 #65516 on GenesisL1: 3D structure…
- PDB
- 3GZ9
- Type
- protein
- Length
- 262 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor delta
- UniProt
- Q03181
- Ligands
- B7G, D32
- Pockets
- 4 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor delta | protein | 262 | 68% helix, 5% strand | Q03181 |
Ligands and binding sites
- B7G · heptyl beta-D-glucopyranoside · ligand · chains A
- D32 · (2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 428 | 0.85 | 0.92 | 53 | D32 |
| 2 | 118 | 0.44 | 0.77 | 17 | empty |
| 3 | 72 | 0.38 | 0.78 | 16 | empty |
| 4 | 58 | 0.32 | 0.76 | 12 | B7G |
Compared structures
- 3GZ9 · Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd) in Complex… · 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 3GZ9 · PDBe 3GZ9 · UniProt Q03181
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