MolNFT v1 · #164191 · protein
ERA_L536S (L536S/C381S/C471S,C530S) in complex with a bridged tetracyclic indole (compound 8)
6SQ0 · Estrogen receptor: “ERA_L536S (L536S/C381S/C471S,C530S) in complex with a bridged tetracyclic indole (compound 8)”. X-ray diffraction, 1 ligand (LRQ), 8 pockets (best druggability 0.78). MolNFT v1 #164191 on GenesisL1: 3D structure…
- PDB
- 6SQ0
- Type
- protein
- Length
- 439 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor
- UniProt
- P03372
- Ligands
- LRQ
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor | protein | 229 | 72% helix, 4% strand | P03372 |
| B | Estrogen receptor | protein | 210 | 72% helix, 4% strand | P03372 |
Ligands and binding sites
- LRQ · Bridged tetracyclic indole · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 253 | 0.78 | 0.90 | 24 | LRQ |
| 2 | 291 | 0.75 | 0.86 | 27 | LRQ |
| 3 | 93 | 0.61 | 0.88 | 23 | empty |
| 4 | 86 | 0.58 | 0.87 | 20 | empty |
| 5 | 275 | 0.56 | 0.77 | 42 | empty |
Interfaces
1 interface between chains.
- A–B · 1389 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 6SQ0 · ERa_L536S (L536S/C381S/C471S,C530S) in complex with a bridged tetracyclic indole… · 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 6SQ0 · PDBe 6SQ0 · UniProt P03372
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