Research workbench
Raloxifene in complex with estrogen receptor alpha ligand binding domain Y537S mutation
Analyse Raloxifene in complex with estrogen receptor alpha ligand binding domain Y537S… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7UJC
- Type
- protein
- Length
- 446 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor
- UniProt
- P03372
- Ligands
- RAL
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 70% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor | protein | 229 | 71% helix, 4% strand | P03372 |
| B | Estrogen receptor | protein | 217 | 70% helix, 4% strand | P03372 |
Ligands and binding sites
- RAL · Raloxifene · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 226 | 0.77 | 0.90 | 25 | RAL |
| 2 | 220 | 0.76 | 0.89 | 26 | RAL |
| 3 | 94 | 0.63 | 0.89 | 21 | empty |
| 4 | 116 | 0.61 | 0.86 | 18 | empty |
| 5 | 129 | 0.42 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1515 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 7UJC · Raloxifene in Complex with Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutation · 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 0.94
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 7UJC · PDBe 7UJC · UniProt P03372
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