Research workbench
Structure of human ppar gamma lbd in complex with lanifibranor (IVA337)
Analyse Structure of human ppar gamma lbd in complex with lanifibranor (IVA337) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ENQ
- Type
- protein
- Length
- 503 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- BJB
- Pockets
- 6 · best druggability 0.78
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 | 256 | 70% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 247 | 68% helix, 5% strand | P37231 |
Ligands and binding sites
- BJB · 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 729 | 0.78 | 0.82 | 74 | empty |
| 2 | 375 | 0.75 | 0.85 | 45 | BJB |
| 3 | 105 | 0.58 | 0.86 | 25 | empty |
| 4 | 225 | 0.57 | 0.79 | 25 | empty |
| 5 | 116 | 0.56 | 0.84 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1101 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6ENQ · Structure of human PPAR gamma LBD in complex with Lanifibranor (IVA337) · 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 6ENQ · PDBe 6ENQ · UniProt P37231
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