MolNFT v1 · #64144 · protein
Crystal structure of pparg in complex with INT131
3FUR · Peroxisome proliferator-activated receptor gamma: “Crystal structure of pparg in complex with INT131”. X-ray diffraction, 2 ligands (Z12, CL), 3 pockets (best druggability 0.79). MolNFT v1 #64144 on GenesisL1: 3D structure, binding…
- PDB
- 3FUR
- Type
- protein
- Length
- 268 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma; Nuclear receptor coactivator 1
- UniProt
- P37231, Q15788
- Ligands
- Z12, CL
- Pockets
- 3 · best druggability 0.79
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 | 256 | 68% helix, 5% strand | P37231 |
| H | Nuclear receptor coactivator 1 | protein | 12 | 67% helix, 0% strand | Q15788 |
Ligands and binding sites
- Z12 · 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide · ligand · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 359 | 0.79 | 0.88 | 49 | Z12 |
| 2 | 74 | 0.32 | 0.74 | 15 | empty |
| 3 | 60 | 0.28 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–H · 549 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3FUR · Crystal Structure of PPARg in complex with INT131 · 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
- Every structure of UniProt Q15788
- Elsewhere: RCSB PDB 3FUR · PDBe 3FUR · UniProt P37231 · UniProt Q15788
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