MolNFT v1 · #98427 · protein
Crystal structure of the complex of F360L ppargamma mutant with the ligand LT175
4L98 · Peroxisome proliferator-activated receptor gamma: “Crystal structure of the complex of F360L ppargamma mutant with the ligand LT175”. X-ray diffraction, 1 ligand (LRG), 3 pockets (best druggability 0.82). MolNFT v1 #98427 on…
- PDB
- 4L98
- 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
- LRG
- Pockets
- 3 · best druggability 0.82
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 | 244 | 69% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 258 | 67% helix, 5% strand | P37231 |
Ligands and binding sites
- LRG · (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 488 | 0.82 | 0.88 | 58 | LRG |
| 2 | 696 | 0.79 | 0.83 | 71 | LRG |
| 3 | 70 | 0.34 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 2143 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4L98 · Crystal structure of the complex of F360L PPARgamma mutant with the ligand LT175 · 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 4L98 · PDBe 4L98 · UniProt P37231
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