MolNFT v1 · #188866 · protein
Estrogen receptor alpha ligand binding domain Y537S in complex with 4- hydroxytamoxifen
7UJ8: “Estrogen receptor alpha ligand binding domain Y537S in complex with 4- hydroxytamoxifen”. X-ray diffraction, 1 ligand (OHT), 6 pockets (best druggability 0.77). MolNFT v1 #188866 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7UJ8
- Type
- protein
- Length
- 427 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor
- UniProt
- P03372
- Ligands
- OHT
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Estrogen receptor | protein | 213 | 71% helix, 4% strand | P03372 |
| A | Estrogen receptor | protein | 214 | 67% helix, 4% strand | P03372 |
Ligands and binding sites
- OHT · 4-hydroxytamoxifen · ligand · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 242 | 0.77 | 0.90 | 27 | OHT |
| 2 | 259 | 0.74 | 0.87 | 28 | OHT |
| 3 | 92 | 0.63 | 0.89 | 17 | empty |
| 4 | 100 | 0.62 | 0.88 | 18 | empty |
| 5 | 304 | 0.58 | 0.77 | 41 | empty |
Interfaces
1 interface between chains.
- B–A · 1387 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 7UJ8 · Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-Hydroxytamoxifen · the same entry in another collection · chain B against B, TM-score 1.00
- P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 7UJ8 · PDBe 7UJ8 · UniProt P03372
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