MolNFT v1 · #48278 · protein
Ppargamma ligand binding domain complexed with a farglitazar analogue GW4709
2POB · Peroxisome proliferator-activated receptor gamma: “Ppargamma ligand binding domain complexed with a farglitazar analogue GW4709”. X-ray diffraction, 1 ligand (GW4), 4 pockets (best druggability 0.82). MolNFT v1 #48278 on GenesisL1…
- PDB
- 2POB
- Type
- protein
- Length
- 502 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- GW4
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 255 | 68% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 247 | 69% helix, 5% strand | P37231 |
Ligands and binding sites
- GW4 · N-[(2S)-2-[(2-benzoylphenyl)amino]-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl]acetamide · ligand · chains A
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 535 | 0.82 | 0.88 | 60 | GW4 |
| 2 | 932 | 0.80 | 0.82 | 95 | GOL |
| 3 | 66 | 0.41 | 0.80 | 14 | empty |
| 4 | 64 | 0.36 | 0.78 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 920 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 2POB · PPARgamma Ligand binding domain complexed with a farglitazar analogue gw4709 · 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 2POB · PDBe 2POB · UniProt P37231
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