MolNFT v1 · #37181 · protein
A second binding site for hydroxytamoxifen within the coactivator- binding groove of estrogen receptor beta
2FSZ: “A second binding site for hydroxytamoxifen within the coactivator- binding groove of estrogen receptor beta”. X-ray diffraction, 1 ligand (OHT), 6 pockets (best druggability 0.80). MolNFT v1 #37181 on GenesisL1: 3D structure…
- PDB
- 2FSZ
- Type
- protein
- Length
- 450 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor beta
- UniProt
- Q92731
- Ligands
- OHT
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 70% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor beta | protein | 223 | 70% helix, 4% strand | Q92731 |
| B | Estrogen receptor beta | protein | 227 | 70% helix, 5% strand | Q92731 |
Ligands and binding sites
- OHT · 4-hydroxytamoxifen · ligand · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 222 | 0.80 | 0.92 | 23 | OHT |
| 2 | 215 | 0.78 | 0.92 | 24 | OHT |
| 3 | 1147 | 0.73 | 0.76 | 95 | empty |
| 4 | 116 | 0.68 | 0.90 | 20 | empty |
| 5 | 115 | 0.67 | 0.90 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1697 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 2FSZ · A second binding site for hydroxytamoxifen within the coactivator-binding groove of… · the same entry in another collection · chain A against A, TM-score 1.00
- Q92731 · AlphaFold monomer V2.0 prediction for estrogen receptor beta (Q92731) · 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 Q92731
- Elsewhere: RCSB PDB 2FSZ · PDBe 2FSZ · UniProt Q92731
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