Research workbench
Crystal structure of estrogen receptor beta complexed with erb-041
Analyse Crystal structure of estrogen receptor beta complexed with erb-041 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1X7B
- Type
- protein
- Length
- 473 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor beta; Steroid receptor coactivator-1
- UniProt
- Q92731
- Ligands
- 041
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 70% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor beta | protein | 228 | 72% helix, 4% strand | Q92731 |
| B | Estrogen receptor beta | protein | 225 | 69% helix, 4% strand | Q92731 |
| C, D | Steroid receptor coactivator-1 | protein | 10 | 60% helix, 0% strand | — |
Ligands and binding sites
- 041 · 2-(3-fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.82 | 0.98 | 21 | 041 |
| 2 | 143 | 0.82 | 0.97 | 22 | 041 |
| 3 | 88 | 0.70 | 0.94 | 20 | empty |
| 4 | 440 | 0.62 | 0.76 | 41 | empty |
| 5 | 117 | 0.60 | 0.86 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1284 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 480 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 459 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1X7B · Crystal structure of estrogen receptor beta complexed with erb-041 · 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 B against A, TM-score 0.99
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 1X7B · PDBe 1X7B · UniProt Q92731
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.