MolNFT v1 · #138133 · protein
Estrogen receptor alpha ligand binding domain C381S, C417S, C530S mutant in complex with endoxifen
5W9D: “Estrogen receptor alpha ligand binding domain C381S, C417S, C530S mutant in complex with endoxifen”. X-ray diffraction, 1 ligand (9XY), 7 pockets (best druggability 0.82). MolNFT v1 #138133 on GenesisL1: 3D structure, binding sites…
- PDB
- 5W9D
- Type
- protein
- Length
- 479 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor
- UniProt
- P03372
- Ligands
- 9XY
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor | protein | 242 | 66% helix, 4% strand | P03372 |
| B | Estrogen receptor | protein | 237 | 68% helix, 4% strand | P03372 |
Ligands and binding sites
- 9XY · Endoxifen · 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 207 | 0.82 | 0.95 | 30 | 9XY |
| 2 | 193 | 0.81 | 0.95 | 28 | 9XY |
| 3 | 90 | 0.62 | 0.89 | 18 | empty |
| 4 | 83 | 0.62 | 0.89 | 17 | empty |
| 5 | 397 | 0.61 | 0.77 | 49 | empty |
Interfaces
1 interface between chains.
- A–B · 1682 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 5W9D · Estrogen Receptor Alpha Ligand Binding Domain C381S, C417S, C530S Mutant in Complex with… · the same entry in another collection · chain A against A, 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 0.92
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 5W9D · PDBe 5W9D · UniProt P03372
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.