Research workbench
Human ppar gamma ligand binding domain in complex with a gamma selective agonist MO3S
Analyse Human ppar gamma ligand binding domain in complex with a gamma selective… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AN3
- Type
- protein
- Length
- 519 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- M7S
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 263 | 69% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 256 | 68% helix, 5% strand | P37231 |
Ligands and binding sites
- M7S · (2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}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 | 361 | 0.80 | 0.89 | 43 | empty |
| 2 | 545 | 0.79 | 0.85 | 57 | M7S |
| 3 | 482 | 0.63 | 0.76 | 47 | empty |
| 4 | 121 | 0.56 | 0.84 | 24 | empty |
| 5 | 226 | 0.56 | 0.78 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 963 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3AN3 · Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO3S · 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 3AN3 · PDBe 3AN3 · UniProt P37231
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