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Structural basis for GL479 a dual peroxisome proliferator-activated receptor gamma agonist
Analyse Structural basis for GL479 a dual peroxisome proliferator-activated receptor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CI5
- Type
- protein
- Length
- 520 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- Y1N
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 260 | 69% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 260 | 69% helix, 5% strand | P37231 |
Ligands and binding sites
- Y1N · 2-methyl-2-[4-[2-[4-[(E)-phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 672 | 0.82 | 0.86 | 54 | Y1N |
| 2 | 408 | 0.80 | 0.88 | 49 | Y1N |
| 3 | 316 | 0.56 | 0.75 | 44 | empty |
| 4 | 210 | 0.51 | 0.76 | 34 | empty |
| 5 | 103 | 0.46 | 0.79 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1020 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4CI5 · Structural basis for GL479 a dual Peroxisome Proliferator-Activated Receptor gamma agonist · 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 4CI5 · PDBe 4CI5 · UniProt P37231
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