Research workbench
Crystal structure of the ppargamma-lbd complexed with a new aryloxy-3PHENYLPROPANOIC acid
Analyse Crystal structure of the ppargamma-lbd complexed with a new… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3HO0
- 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
- DKD
- Pockets
- 7 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Peroxisome proliferator-activated receptor gamma | protein | 270 | 67% helix, 5% strand | P37231 |
Ligands and binding sites
- DKD · (2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 749 | 0.86 | 0.88 | 68 | DKD |
| 2 | 550 | 0.85 | 0.90 | 64 | empty |
| 3 | 436 | 0.70 | 0.81 | 38 | empty |
| 4 | 239 | 0.66 | 0.83 | 24 | empty |
| 5 | 377 | 0.59 | 0.76 | 46 | empty |
Interfaces
1 interface between chains.
- A–B · 988 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3HO0 · Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid · 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 3HO0 · PDBe 3HO0 · UniProt P37231
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