MolNFT v1 · #121567 · protein
Crystal structure of the complex PPARGAMMA/AL26-29
5HZC · Peroxisome proliferator-activated receptor gamma: “Crystal structure of the complex PPARGAMMA/AL26-29”. X-ray diffraction, 1 ligand (65W), 9 pockets (best druggability 0.77). MolNFT v1 #121567 on GenesisL1: 3D structure, binding…
- PDB
- 5HZC
- Type
- protein
- Length
- 501 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- 65W
- Pockets
- 9 · best druggability 0.77
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 | 251 | 66% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 250 | 65% helix, 5% strand | P37231 |
Ligands and binding sites
- 65W · 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 482 | 0.77 | 0.85 | 55 | 65W |
| 2 | 382 | 0.75 | 0.85 | 47 | 65W |
| 3 | 279 | 0.59 | 0.78 | 22 | empty |
| 4 | 276 | 0.55 | 0.76 | 22 | empty |
| 5 | 70 | 0.52 | 0.86 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1072 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 5HZC · Crystal structure of the complex PPARgamma/AL26-29 · 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 5HZC · PDBe 5HZC · UniProt P37231
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