MolNFT v1 · #91562 · protein
Identification of a unique ppar ligand with an unexpected binding mode and antibetic activity
4FGY · Peroxisome proliferator-activated receptor gamma: “Identification of a unique ppar ligand with an unexpected binding mode and antibetic activity”. X-ray diffraction, 1 ligand (0W3), 2 pockets (best druggability 0.85). MolNFT v1…
- PDB
- 4FGY
- Type
- protein
- Length
- 276 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma; Nuclear receptor coactivator 1
- EC
- 2.3.1.48
- UniProt
- P37231, Q15788
- Ligands
- 0W3
- Pockets
- 2 · best druggability 0.85
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 | 265 | 63% helix, 5% strand | P37231 |
| B | Nuclear receptor coactivator 1 (EC 2.3.1.48) | protein | 11 | 64% helix, 0% strand | Q15788 |
Ligands and binding sites
- 0W3 · (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic 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 | 933 | 0.85 | 0.86 | 68 | 0W3 |
| 2 | 74 | 0.42 | 0.80 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 623 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4FGY · Identification of a unique PPAR ligand with an unexpected binding mode and antibetic… · 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
- Every structure of UniProt Q15788
- Elsewhere: RCSB PDB 4FGY · PDBe 4FGY · UniProt P37231 · UniProt Q15788
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