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Notch ligand, jagged-1, contains an N-terminal C2 domain

Analyse Notch ligand, jagged-1, contains an N-terminal C2 domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4CC0
Type
protein
Length
573 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein jagged-1
UniProt
P78504
Ligands
NAG, FUC, CA
Pockets
2 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 1% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein jagged-1protein3062% helix, 41% strandP78504
BProtein jagged-1protein2670% helix, 41% strandP78504

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
  • FUC · alpha-L-fucopyranose · sugar · chains A
  • CA · Calcium ion · metal · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13110.520.7436empty
2800.320.7423empty

Interfaces

1 interface between chains.

  • A–B · 604 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 27 disulfide, 3 glycan (disulfide, N-glycosylation, O-glycosylation).

Compared structures

  • 4CC0 · Notch ligand, Jagged-1, contains an N-terminal C2 domain · the same entry in another collection · chain A against A, TM-score 1.00
  • P78504 · AlphaFold monomer V2.0 prediction for protein jagged-1 (P78504) · a predicted model of the same protein · chain B against A, TM-score 0.98

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