MolNFT v1 · #96488 · protein
Crystal structure of the complex between ppargamma lbd and the ligand LJ570 [(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-YLOXY)PROPANOIC acid]
4JL4 · Peroxisome proliferator-activated receptor gamma: “Crystal structure of the complex between ppargamma lbd and the ligand LJ570…”. X-ray diffraction, 1 ligand (AXY), 10 pockets (best druggability 0.82). MolNFT v1 #96488 on GenesisL1…
- PDB
- 4JL4
- 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
- AXY
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 63% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 268 | 66% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 267 | 59% helix, 5% strand | P37231 |
Ligands and binding sites
- AXY · (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 646 | 0.82 | 0.87 | 63 | AXY |
| 2 | 549 | 0.82 | 0.87 | 61 | empty |
| 3 | 279 | 0.64 | 0.81 | 33 | empty |
| 4 | 186 | 0.57 | 0.80 | 21 | empty |
| 5 | 109 | 0.55 | 0.84 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 892 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4JL4 · Crystal structure of the complex between PPARgamma LBD and the ligand LJ570… · 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 P37231
- Elsewhere: RCSB PDB 4JL4 · PDBe 4JL4 · UniProt P37231
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