Research workbench
2 ångström xray structure of the NOTCH1 negative regulatory region (nrr)
Analyse 2 ångström xray structure of the NOTCH1 negative regulatory region (nrr) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ETO
- Type
- protein
- Length
- 464 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neurogenic locus notch homolog protein 1
- UniProt
- P46531
- Ligands
- CA, CL
- Pockets
- 11 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Neurogenic locus notch homolog protein 1 | protein | 232 | 38% helix, 16% strand | P46531 |
Ligands and binding sites
- CA · Calcium ion · metal · 6 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 71 | 0.71 | 0.96 | 32 | empty |
| 2 | 232 | 0.54 | 0.77 | 39 | empty |
| 3 | 184 | 0.50 | 0.77 | 37 | empty |
| 4 | 102 | 0.44 | 0.78 | 22 | empty |
| 5 | 103 | 0.36 | 0.74 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 805 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 disulfide (disulfide).
Compared structures
- 3ETO · 2 Angstrom Xray structure of the NOTCH1 Negative Regulatory Region (NRR) · 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 A against A, TM-score 0.96
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 3ETO · PDBe 3ETO · UniProt P46531
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