MolNFT v1 · #96135 · protein
Crystal structure of the complex between ppargamma lbd and trans- resveratrol
4JAZ · Peroxisome proliferator-activated receptor gamma: “Crystal structure of the complex between ppargamma lbd and trans- resveratrol”. X-ray diffraction, 1 ligand (STL), 9 pockets (best druggability 0.84). MolNFT v1 #96135 on GenesisL1…
- PDB
- 4JAZ
- Type
- protein
- Length
- 535 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- STL
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 268 | 63% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 267 | 58% helix, 3% strand | P37231 |
Ligands and binding sites
- STL · Resveratrol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 583 | 0.84 | 0.89 | 60 | STL |
| 2 | 572 | 0.82 | 0.87 | 64 | empty |
| 3 | 388 | 0.69 | 0.81 | 39 | empty |
| 4 | 266 | 0.57 | 0.78 | 25 | empty |
| 5 | 139 | 0.53 | 0.81 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 850 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4JAZ · Crystal structure of the complex between PPARgamma LBD and trans-resveratrol · the same entry in another collection · chain B against B, 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 P37231
- Elsewhere: RCSB PDB 4JAZ · PDBe 4JAZ · UniProt P37231
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