Research workbench
Selective estrogen receptor downregulator antagonists: tetrahydroisoquinoline phenols 1.
Analyse Selective estrogen receptor downregulator antagonists: tetrahydroisoquinoline… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5FQP
- Type
- protein
- Length
- 242 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor alpha
- UniProt
- P03372
- Ligands
- GQD
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor alpha | protein | 242 | 67% helix, 4% strand | P03372 |
Ligands and binding sites
- GQD · (E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 232 | 0.79 | 0.92 | 31 | GQD |
| 2 | 88 | 0.62 | 0.89 | 16 | empty |
| 3 | 55 | 0.28 | 0.74 | 16 | empty |
Compared structures
- 5FQP · Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 1. · the same entry in another collection · chain A against A, TM-score 1.00
- P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 P03372
- Elsewhere: RCSB PDB 5FQP · PDBe 5FQP · UniProt P03372
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