Research workbench
Revealing a steroid receptor ligand as a unique ppargamma agonist
Analyse Revealing a steroid receptor ligand as a unique ppargamma agonist in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QT0
- Type
- protein
- Length
- 279 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 peptide
- EC
- 2.3.1.48
- UniProt
- P37231, Q15788
- Ligands
- 486
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 267 | 63% helix, 5% strand | P37231 |
| C | Nuclear receptor coactivator 1 peptide (EC 2.3.1.48) | protein | 12 | 58% helix, 0% strand | Q15788 |
Ligands and binding sites
- 486 · 11-(4-dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodec ahydro-cyclopenta[a]phenanthren-3-one · 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 | 664 | 0.82 | 0.86 | 77 | 486 |
| 2 | 69 | 0.35 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–C · 635 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3QT0 · Revealing a steroid receptor ligand as a unique PPARgamma 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
- Every structure of UniProt Q15788
- Elsewhere: RCSB PDB 3QT0 · PDBe 3QT0 · UniProt P37231 · UniProt Q15788
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