MolNFT v1 · #135254 · protein
X-ray crystal structure of ppargamma in complex with SR1643
5TTO · Peroxisome proliferator-activated receptor gamma: “X-ray crystal structure of ppargamma in complex with SR1643”. X-ray diffraction, 1 ligand (7KK), 6 pockets (best druggability 0.83). MolNFT v1 #135254 on GenesisL1: 3D structure…
- PDB
- 5TTO
- Type
- protein
- Length
- 518 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- 7KK
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 66% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 260 | 65% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 258 | 67% helix, 5% strand | P37231 |
Ligands and binding sites
- 7KK · 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide · 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 | 772 | 0.83 | 0.86 | 83 | 7KK |
| 2 | 479 | 0.80 | 0.87 | 49 | 7KK |
| 3 | 369 | 0.68 | 0.81 | 44 | empty |
| 4 | 195 | 0.59 | 0.81 | 30 | empty |
| 5 | 68 | 0.36 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 897 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5TTO · X-ray crystal structure of PPARgamma in complex with SR1643 · 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 5TTO · PDBe 5TTO · UniProt P37231
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