MolNFT v1 · #172896 · protein
Crystal structure of ppargamma V290M mutant ligand binding domain in complex with farglitazar
7AHJ · Peroxisome proliferator-activated receptor gamma: “Crystal structure of ppargamma V290M mutant ligand binding domain in complex with farglitazar”. X-ray diffraction, 1 ligand (570), 8 pockets (best druggability 0.83). MolNFT v1…
- PDB
- 7AHJ
- Type
- protein
- Length
- 524 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- 570
- Pockets
- 8 · best druggability 0.83
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 | 260 | 70% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 264 | 69% helix, 5% strand | P37231 |
Ligands and binding sites
- 570 · 2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 434 | 0.83 | 0.90 | 43 | empty |
| 2 | 612 | 0.81 | 0.86 | 61 | 570 |
| 3 | 468 | 0.64 | 0.77 | 55 | empty |
| 4 | 239 | 0.61 | 0.80 | 26 | empty |
| 5 | 119 | 0.49 | 0.80 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 942 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 7AHJ · Crystal structure of PPARgamma V290M mutant ligand binding domain in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P37231 · AlphaFold monomer V2.0 prediction for peroxisome proliferator- activated receptor gamma… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 7AHJ · PDBe 7AHJ · UniProt P37231
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.