MolNFT v1 · #158840 · protein
Crystal structure of human ppargamma ligand binding domain in complex with ciglitazone
6O68 · Peroxisome proliferator-activated receptor gamma: “Crystal structure of human ppargamma ligand binding domain in complex with ciglitazone”. X-ray diffraction, 1 ligand (LO4), 7 pockets (best druggability 0.83). MolNFT v1 #158840 on…
- PDB
- 6O68
- Type
- protein
- Length
- 520 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- LO4
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 261 | 64% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 259 | 63% helix, 5% strand | P37231 |
Ligands and binding sites
- LO4 · Ciglitazone · ligand · 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 695 | 0.83 | 0.87 | 69 | empty |
| 2 | 461 | 0.77 | 0.85 | 56 | LO4 |
| 3 | 293 | 0.60 | 0.79 | 35 | empty |
| 4 | 323 | 0.58 | 0.77 | 32 | empty |
| 5 | 58 | 0.55 | 0.89 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1104 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6O68 · Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Ciglitazone · 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 6O68 · PDBe 6O68 · UniProt P37231
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