MolNFT v1 · #119266 · protein
Selective estrogen receptor downregulator antagonists: tetrahydroisoquinoline phenols 2.
5FQR: “Selective estrogen receptor downregulator antagonists: tetrahydroisoquinoline phenols 2.”. X-ray diffraction, 1 ligand (QHG), 2 pockets (best druggability 0.77). MolNFT v1 #119266 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5FQR
- Type
- protein
- Length
- 228 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor
- UniProt
- P03372
- Ligands
- QHG
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 71% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor | protein | 228 | 71% helix, 4% strand | P03372 |
Ligands and binding sites
- QHG · (E)-3-[4-[(1R)-6-hydroxy-2-isobutyl-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
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 220 | 0.77 | 0.90 | 28 | QHG |
| 2 | 89 | 0.62 | 0.89 | 17 | empty |
Compared structures
- 5FQR · Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 2. · 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 5FQR · PDBe 5FQR · UniProt P03372
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