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MolNFT v1 · #36545 · protein

Crystal structure of human NOTCH1 ankyrin repeats to 1.55A resolution.

2F8Y · Notch homolog 1, translocation-associated (drosophila): “Crystal structure of human NOTCH1 ankyrin repeats to 1.55A resolution.”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.65). MolNFT v1 #36545 on GenesisL1…

PDB
2F8Y
Type
protein
Length
424 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Notch homolog 1, translocation-associated (drosophila)
UniProt
P46531
Ligands
SO4
Pockets
3 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANotch homolog 1, translocation-associated (drosophila)protein21546% helix, 3% strandP46531
BNotch homolog 1, translocation-associated (drosophila)protein20949% helix, 0% strandP46531

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains B

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11530.650.8716empty
2780.330.7515empty
3590.270.7415empty

Interfaces

1 interface between chains.

  • A–B · 506 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 2F8Y · Crystal structure of human Notch1 ankyrin repeats to 1.55A resolution. · 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 0.95

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