Research workbench
Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selectively ppar gamma-modulating ligand vsp- 51
Analyse Peroxisome proliferator-activated receptor gamma ligand binding domain in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5TWO
- Type
- protein
- Length
- 281 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma…
- UniProt
- P37231
- Ligands
- 7MV
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 65% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 270 | 66% helix, 5% strand | P37231 |
| B | Pro-ser-leu-leu-lys-lys-leu-leu-leu-ala-pro | protein | 11 | 55% helix, 0% strand | — |
Ligands and binding sites
- 7MV · N-benzyl-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-5-carboxamide · ligand · 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 | 387 | 0.84 | 0.92 | 49 | 7MV |
| 2 | 61 | 0.31 | 0.75 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 521 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5TWO · Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a… · 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 5TWO · PDBe 5TWO · UniProt P37231
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