Research workbench
Crystal structure of ppargamma ligand binding domain in complex with triphenyltin
Analyse Crystal structure of ppargamma ligand binding domain in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WJ5
- Type
- protein
- Length
- 516 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- T9T
- Pockets
- 6 · 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 | 258 | 68% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 258 | 69% helix, 5% strand | P37231 |
Ligands and binding sites
- T9T · triphenylstannanyl · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 476 | 0.83 | 0.89 | 47 | T9T |
| 2 | 640 | 0.81 | 0.85 | 58 | T9T |
| 3 | 757 | 0.72 | 0.78 | 79 | empty |
| 4 | 185 | 0.60 | 0.82 | 28 | empty |
| 5 | 132 | 0.39 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 832 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3WJ5 · Crystal structure of PPARgamma ligand binding domain in complex with triphenyltin · 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 3WJ5 · PDBe 3WJ5 · UniProt P37231
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