Research workbench
Structure of the ancestral glucocorticoid receptor 2 ligand binding domain in complex with prednisolone and PGC1A coregulator fragment
Analyse Structure of the ancestral glucocorticoid receptor 2 ligand binding domain in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6W9K
- Type
- protein
- Length
- 259 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucocorticoid receptor; Peroxisome proliferator-activated receptor gamma coactivator…
- UniProt
- A0A1X8XLE9, Q9UBK2
- Ligands
- TUA
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 66% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucocorticoid receptor | protein | 249 | 66% helix, 5% strand | A0A1X8XLE9 |
| B | Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | protein | 10 | 70% helix, 0% strand | Q9UBK2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 180 | 0.82 | 0.96 | 23 | TUA |
| 2 | 128 | 0.65 | 0.88 | 20 | GOL |
| 3 | 133 | 0.47 | 0.78 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 523 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6W9K · Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex… · 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 0.83
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 A0A1X8XLE9
- Every structure of UniProt Q9UBK2
- Elsewhere: RCSB PDB 6W9K · PDBe 6W9K · UniProt A0A1X8XLE9 · UniProt Q9UBK2
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