Research workbench
Crystal structure of the complex between ppargamma and the full agonist LT175
Analyse Crystal structure of the complex between ppargamma and the full agonist LT175 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3B3K
- Type
- protein
- Length
- 540 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- LRG
- Pockets
- 6 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 63% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Peroxisome proliferator-activated receptor gamma | protein | 270 | 63% helix, 5% strand | P37231 |
Ligands and binding sites
- LRG · (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 639 | 0.85 | 0.89 | 68 | LRG |
| 2 | 512 | 0.83 | 0.89 | 57 | empty |
| 3 | 371 | 0.69 | 0.82 | 32 | empty |
| 4 | 238 | 0.64 | 0.82 | 21 | empty |
| 5 | 383 | 0.59 | 0.76 | 46 | empty |
Interfaces
1 interface between chains.
- A–B · 994 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3B3K · Crystal structure of the complex between PPARgamma and the full agonist LT175 · 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 3B3K · PDBe 3B3K · UniProt P37231
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