MolNFT v1 · #64713 · protein
Crystal structure of human ppar-gamma ligand binding domain complexed with a potent and selective agonist
3GBK · Peroxisome proliferator-activated receptor gamma: “Crystal structure of human ppar-gamma ligand binding domain complexed with a potent and selective agonist”. X-ray diffraction, 1 ligand (2PQ), 7 pockets (best druggability 0.85).…
- PDB
- 3GBK
- Type
- protein
- Length
- 542 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- 2PQ
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 66% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Peroxisome proliferator-activated receptor gamma | protein | 271 | 66% helix, 4% strand | P37231 |
Ligands and binding sites
- 2PQ · 2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 712 | 0.85 | 0.89 | 66 | 2PQ |
| 2 | 1047 | 0.84 | 0.85 | 102 | empty |
| 3 | 223 | 0.71 | 0.87 | 25 | empty |
| 4 | 118 | 0.56 | 0.83 | 22 | empty |
| 5 | 102 | 0.37 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 815 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3GBK · Crystal Structure of Human PPAR-gamma Ligand Binding Domain Complexed with a Potent and… · 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 3GBK · PDBe 3GBK · UniProt P37231
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