MolNFT v1 · #74058 · protein
Crystal structure of phosphorylated estrogen receptor beta ligand binding domain
3OLL: “Crystal structure of phosphorylated estrogen receptor beta ligand binding domain”. X-ray diffraction, 1 ligand (EST), 9 pockets (best druggability 0.84). MolNFT v1 #74058 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3OLL
- Type
- protein
- Length
- 489 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor beta; Nuclear receptor coactivator 1
- UniProt
- Q92731, Q15788
- Ligands
- EST
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor beta | protein | 235 | 69% helix, 5% strand | Q92731 |
| B | Estrogen receptor beta | protein | 234 | 69% helix, 5% strand | Q92731 |
| C, D | Nuclear receptor coactivator 1 | protein | 10 | 70% helix, 0% strand | Q15788 |
Ligands and binding sites
- EST · Estradiol · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 196 | 0.84 | 0.97 | 22 | EST |
| 2 | 189 | 0.84 | 0.97 | 21 | EST |
| 3 | 302 | 0.67 | 0.82 | 46 | empty |
| 4 | 125 | 0.64 | 0.87 | 22 | empty |
| 5 | 117 | 0.63 | 0.87 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1523 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 552 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 544 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 3OLL · Crystal structure of phosphorylated estrogen receptor beta ligand binding domain · 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 0.97
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
- Every structure of UniProt Q15788
- Elsewhere: RCSB PDB 3OLL · PDBe 3OLL · UniProt Q92731 · UniProt Q15788
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