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The DVL2 PDZ domain in complex with the N3 inhibitory peptide

Analyse The DVL2 PDZ domain in complex with the N3 inhibitory peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3CC0
Type
protein
Length
307 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dishevelled-2
UniProt
O14641
Pockets
1 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 16% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADishevelled-2protein10615% helix, 37% strandO14641
BDishevelled-2protein10316% helix, 36% strandO14641
CDishevelled-2protein9817% helix, 40% strandO14641

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15670.690.7849empty

Interfaces

3 interfaces between chains.

  • B–C · 739 Ų buried · 17 hydrogen bonds · protein-protein
  • A–C · 731 Ų buried · 16 hydrogen bonds · protein-protein
  • A–B · 700 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 3CC0 · The Dvl2 PDZ Domain in Complex with the N3 Inhibitory Peptide · the same entry in another collection · chain A against A, TM-score 1.00
  • O14641 · AlphaFold monomer V2.0 prediction for segment polarity protein dishevelled homolog dvl-2… · a predicted model of the same protein · chain A against A, TM-score 0.80

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