MolNFT v1 · #119270 · protein
Selective estrogen receptor downregulator antagonists: tetrahydroisoquinoline phenols 5.
5FQV · Estrogen receptor alpha: “Selective estrogen receptor downregulator antagonists: tetrahydroisoquinoline phenols 5.”. X-ray diffraction, 1 ligand (VQI), 3 pockets (best druggability 0.81). MolNFT v1 #119270 on GenesisL1: 3D…
- PDB
- 5FQV
- Type
- protein
- Length
- 233 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor alpha
- UniProt
- P03372
- Ligands
- VQI
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor alpha | protein | 233 | 68% helix, 4% strand | P03372 |
Ligands and binding sites
- VQI · (E)-3-[4-(6-hydroxy-2-isobutyl-7-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 | 234 | 0.81 | 0.93 | 28 | VQI |
| 2 | 93 | 0.62 | 0.88 | 17 | empty |
| 3 | 56 | 0.28 | 0.74 | 14 | empty |
Compared structures
- 5FQV · Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 5. · 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 0.93
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 5FQV · PDBe 5FQV · UniProt P03372
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