MolNFT v1 · #57630 · protein
Human ppargamma ligand-binding domain in complex with 5-hydroxy-indole acetate
3ADT · Peroxisome proliferator-activated receptor gamma: “Human ppargamma ligand-binding domain in complex with 5-hydroxy-indole acetate”. X-ray diffraction, 1 ligand (HID), 7 pockets (best druggability 0.83). MolNFT v1 #57630 on…
- PDB
- 3ADT
- 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
- HID
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 259 | 68% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 257 | 65% helix, 5% strand | P37231 |
Ligands and binding sites
- HID · (5-hydroxy-1H-indol-3-yl)acetic acid · ligand · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 395 | 0.83 | 0.91 | 52 | empty |
| 2 | 407 | 0.75 | 0.84 | 47 | HID |
| 3 | 341 | 0.65 | 0.79 | 35 | empty |
| 4 | 319 | 0.61 | 0.78 | 45 | empty |
| 5 | 135 | 0.58 | 0.84 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 987 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3ADT · Human PPARgamma ligand-binding domain in complex with 5-hydroxy-indole acetate · 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 3ADT · PDBe 3ADT · UniProt P37231
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