Research workbench
Crystal structure of ppargammalbd complexed with the agonist magnolol
Analyse Crystal structure of ppargammalbd complexed with the agonist magnolol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3R5N
- Type
- protein
- Length
- 256 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- MLO
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 256 | 69% helix, 5% strand | P37231 |
Ligands and binding sites
- MLO · 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol · ligand · 2 copies · 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 | 475 | 0.81 | 0.88 | 51 | MLO |
| 2 | 59 | 0.35 | 0.78 | 15 | empty |
Compared structures
- 3R5N · Crystal structure of PPARgammaLBD complexed with the agonist magnolol · 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 3R5N · PDBe 3R5N · UniProt P37231
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