MolNFT v1 · #60458 · protein
Structural and biochemical basis for the binding selectivity of pparg to pgc-1A
3CS8 · Peroxisome proliferator-activated receptor gamma: “Structural and biochemical basis for the binding selectivity of pparg to pgc-1A”. X-ray diffraction, 2 ligands (BRL, SO4), 2 pockets (best druggability 0.82). MolNFT v1 #60458 on…
- PDB
- 3CS8
- Type
- protein
- Length
- 281 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma; Pgc-1ALFA peptide
- UniProt
- P37231, Q9UBK2
- Ligands
- BRL, SO4
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 269 | 64% helix, 4% strand | P37231 |
| B | Pgc-1ALFA peptide | protein | 12 | 67% helix, 0% strand | Q9UBK2 |
Ligands and binding sites
- BRL · 2,4-thiazolidiinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-(9CL) · ligand · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 588 | 0.82 | 0.87 | 67 | BRL |
| 2 | 56 | 0.35 | 0.78 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 614 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3CS8 · Structural and Biochemical Basis for the Binding Selectivity of PPARg to PGC-1a · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UBK2 · AlphaFold monomer V2.0 prediction for peroxisome proliferator- activated receptor gamma… · a predicted model of the same protein · chain B against A, TM-score 0.58
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 Q9UBK2
- Elsewhere: RCSB PDB 3CS8 · PDBe 3CS8 · UniProt P37231 · UniProt Q9UBK2
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