Research workbench
Crystal structure of ppar gamma with N-sulfonyl-2-indole carboxamide ligands
Analyse Crystal structure of ppar gamma with N-sulfonyl-2-indole carboxamide ligands in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2HFP
- Type
- protein
- Length
- 289 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma; Src peptide fragment
- UniProt
- Q86U60, Q2T9G5
- Ligands
- NSI
- Pockets
- 2 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 272 | 68% helix, 5% strand | Q86U60 |
| B | Src peptide fragment | protein | 17 | 41% helix, 0% strand | Q2T9G5 |
Ligands and binding sites
- NSI · 3-(4-methoxyphenyl)-N-(phenylsulfonyl)-1-[3-(trifluoromethyl)benzyl]-1H-indole-2-carboxamide · ligand · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 861 | 0.87 | 0.89 | 75 | NSI |
| 2 | 50 | 0.29 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 708 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2HFP · Crystal Structure of PPAR Gamma with N-sulfonyl-2-indole carboxamide ligands · 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 Q86U60
- Every structure of UniProt Q2T9G5
- Elsewhere: RCSB PDB 2HFP · PDBe 2HFP · UniProt Q86U60 · UniProt Q2T9G5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.