MolNFT v1 · #127587 · protein
CUCURBIT[8]URIL and 14-3-3 based binary bivalent supramolecular- protein assembly platform
5N10 · Estrogen receptor: “CUCURBIT[8]URIL and 14-3-3 based binary bivalent supramolecular- protein assembly platform”. X-ray diffraction, 1 ligand (C8L), 5 pockets (best druggability 0.55). MolNFT v1 #127587 on GenesisL1: 3D structure…
- PDB
- 5N10
- Type
- protein
- Length
- 490 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor; 14-3-3 protein BETA/ALPHA
- UniProt
- P03372, P31946
- Ligands
- C8L
- Pockets
- 5 · best druggability 0.55
Structure
x-ray diffraction · 5 distinct chains · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| F | Estrogen receptor | protein | 5 | 0% helix, 0% strand | P03372 |
| A | 14-3-3 protein BETA/ALPHA | protein | 231 | 81% helix, 0% strand | P31946 |
| B | 14-3-3 protein BETA/ALPHA | protein | 236 | 82% helix, 0% strand | P31946 |
| C | Estrogen receptor | protein | 15 | 40% helix, 0% strand | P03372 |
| D | Estrogen receptor | protein | 3 | 0% helix, 0% strand | P03372 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 179 | 0.55 | 0.80 | 26 | empty |
| 2 | 304 | 0.52 | 0.75 | 27 | empty |
| 3 | 148 | 0.49 | 0.78 | 23 | empty |
| 4 | 61 | 0.36 | 0.79 | 19 | empty |
| 5 | 56 | 0.34 | 0.77 | 10 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1153 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 629 Ų buried · 12 hydrogen bonds · protein-protein
- F–B · 470 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 67 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 5N10 · Cucurbit[8]uril and 14-3-3 based binary bivalent supramolecular-protein assembly platform · the same entry in another collection · chain D against D, TM-score 1.00
- P31946 · AlphaFold monomer V2.0 prediction for 14-3-3 protein BETA/ALPHA (P31946) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain F against A, TM-score 0.93
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
- Every structure of UniProt P31946
- Elsewhere: RCSB PDB 5N10 · PDBe 5N10 · UniProt P03372 · UniProt P31946
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