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Structure of the dominant negative mutant glucocorticoid receptor alpha (L733K/N734P) complexed with ru-486
Analyse Structure of the dominant negative mutant glucocorticoid receptor alpha… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5UC3
- Type
- protein
- Length
- 463 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucocorticoid receptor
- UniProt
- P04150
- Ligands
- 486
- Pockets
- 9 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 65% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucocorticoid receptor | protein | 232 | 66% helix, 6% strand | P04150 |
| B | Glucocorticoid receptor | protein | 231 | 65% helix, 6% strand | P04150 |
Ligands and binding sites
- 486 · 11-(4-dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodec ahydro-cyclopenta[a]phenanthren-3-one · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 9 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 copies · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 255 | 0.77 | 0.90 | 26 | 486 |
| 2 | 213 | 0.77 | 0.91 | 23 | 486 |
| 3 | 157 | 0.68 | 0.88 | 20 | MPD |
| 4 | 162 | 0.66 | 0.86 | 19 | MPD |
| 5 | 157 | 0.42 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 615 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5UC3 · Structure of the dominant negative mutant Glucocorticoid Receptor alpha (L733K/N734P)… · the same entry in another collection · chain A against A, TM-score 1.00
- P04150 · AlphaFold monomer V2.0 prediction for glucocorticoid receptor (P04150) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 P04150
- Elsewhere: RCSB PDB 5UC3 · PDBe 5UC3 · UniProt P04150
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