Research workbench
Crystal structure of the complex between ppargamma-lbd and the S enantiomer of mbx-102 (metaglidasen)
Analyse Crystal structure of the complex between ppargamma-lbd and the S enantiomer of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4PWL
- Type
- protein
- Length
- 507 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- MSZ
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 61% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 255 | 64% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 252 | 58% helix, 5% strand | P37231 |
Ligands and binding sites
- MSZ · (2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 517 | 0.78 | 0.85 | 51 | MSZ |
| 2 | 474 | 0.75 | 0.83 | 62 | empty |
| 3 | 744 | 0.71 | 0.77 | 89 | empty |
| 4 | 223 | 0.55 | 0.77 | 20 | empty |
| 5 | 164 | 0.49 | 0.78 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 879 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4PWL · Crystal structure of the complex between PPARgamma-LBD and the S enantiomer of Mbx-102… · 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 4PWL · PDBe 4PWL · UniProt P37231
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.