MolNFT v1 · #91314 · protein
Crystal structure of the ppargamma-lbd complexed with a cercosporamide derivative modulator
4F9M · Peroxisome proliferator-activated receptor gamma: “Crystal structure of the ppargamma-lbd complexed with a cercosporamide derivative modulator”. X-ray diffraction, 1 ligand (FCM), 3 pockets (best druggability 0.79). MolNFT v1 #91314…
- PDB
- 4F9M
- Type
- protein
- Length
- 272 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma; Peptide from nuclear receptor…
- UniProt
- P37231, Q15788
- Ligands
- FCM
- Pockets
- 3 · best druggability 0.79
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 | 261 | 66% helix, 5% strand | P37231 |
| C | Peptide from nuclear receptor coactivator 1 | protein | 11 | 73% helix, 0% strand | Q15788 |
Ligands and binding sites
- FCM · (9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 438 | 0.79 | 0.87 | 53 | FCM |
| 2 | 74 | 0.39 | 0.78 | 18 | empty |
| 3 | 52 | 0.29 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–C · 586 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4F9M · Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative… · 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
- Every structure of UniProt Q15788
- Elsewhere: RCSB PDB 4F9M · PDBe 4F9M · UniProt P37231 · UniProt Q15788
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