Research workbench
Crystal structure of a human NOTCH1 ankyrin domain mutant
Analyse Crystal structure of a human NOTCH1 ankyrin domain mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2HE0
- Type
- protein
- Length
- 388 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NOTCH1 preproprotein variant
- UniProt
- P46531
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NOTCH1 preproprotein variant | protein | 195 | 49% helix, 2% strand | P46531 |
| B | NOTCH1 preproprotein variant | protein | 193 | 48% helix, 2% strand | P46531 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 117 | 0.70 | 0.91 | 13 | empty |
| 2 | 74 | 0.30 | 0.74 | 15 | empty |
| 3 | 62 | 0.29 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 520 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 2HE0 · Crystal structure of a human Notch1 ankyrin domain mutant · the same entry in another collection · chain A against A, TM-score 1.00
- P46531 · AlphaFold monomer V2.0 prediction for neurogenic locus notch homolog protein 1 (P46531) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P46531
- Elsewhere: RCSB PDB 2HE0 · PDBe 2HE0 · UniProt P46531
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.