Research workbench
Human estrogen receptor ligand-binding domain in complex with 17BETA-estradiol
Analyse Human estrogen receptor ligand-binding domain in complex with 17BETA-estradiol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ERE
- Type
- protein
- Length
- 1,410 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor
- UniProt
- P03372
- Ligands
- EST
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Estrogen receptor | protein | 235 | 73% helix, 4% strand | P03372 |
Ligands and binding sites
- EST · Estradiol · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 192 | 0.85 | 0.98 | 21 | EST |
| 2 | 188 | 0.85 | 0.98 | 21 | EST |
| 3 | 191 | 0.85 | 0.98 | 22 | EST |
| 4 | 191 | 0.85 | 0.98 | 21 | EST |
| 5 | 189 | 0.85 | 0.98 | 22 | EST |
Interfaces
5 interfaces between chains.
- C–D · 1698 Ų buried · 30 hydrogen bonds · protein-protein
- A–B · 1670 Ų buried · 27 hydrogen bonds · protein-protein
- E–F · 1655 Ų buried · 26 hydrogen bonds · protein-protein
- D–F · 618 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 581 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1ERE · Human estrogen receptor ligand-binding domain in complex with 17BETA-estradiol · the same entry in another collection · chain F against F, TM-score 1.00
- P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain C against A, TM-score 0.98
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 1ERE · PDBe 1ERE · UniProt P03372
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