Research workbench
Crystal structure of ppar gamma in complex with creb-binding protein and agonist GW1929
Analyse Crystal structure of ppar gamma in complex with creb-binding protein and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7RLE
- Type
- protein
- Length
- 557 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma; Creb-binding protein
- EC
- 2.3.1.48, 2.3.1.-
- UniProt
- P37231, Q92793
- Ligands
- EDK
- Pockets
- 13 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 66% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 262 | 67% helix, 5% strand | P37231 |
| B | Creb-binding protein (EC 2.3.1.48, 2.3.1.-) | protein | 18 | 61% helix, 0% strand | Q92793 |
| C | Peroxisome proliferator-activated receptor gamma | protein | 263 | 67% helix, 5% strand | P37231 |
| D | Creb-binding protein (EC 2.3.1.48, 2.3.1.-) | protein | 14 | 50% helix, 0% strand | Q92793 |
Ligands and binding sites
- EDK · (2~{S})-3-[4-[2-[methyl(pyridin-2-yl) amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl) phenyl]amino]propanoic acid · ligand · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 488 | 0.83 | 0.89 | 56 | EDK |
| 2 | 586 | 0.83 | 0.87 | 62 | EDK |
| 3 | 139 | 0.55 | 0.82 | 15 | empty |
| 4 | 226 | 0.55 | 0.78 | 23 | empty |
| 5 | 82 | 0.52 | 0.85 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1225 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 705 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 693 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 7RLE · Crystal structure of PPAR gamma in complex with CREB-binding protein and agonist GW1929 · the same entry in another collection · chain A against A, TM-score 1.00
- Q92793 · AlphaFold monomer V2.0 prediction for creb-binding protein (Q92793) · a predicted model of the same protein · chain D against A, TM-score 0.51
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 Q92793
- Elsewhere: RCSB PDB 7RLE · PDBe 7RLE · UniProt P37231 · UniProt Q92793
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