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Crystal structure of afadin PDZ domain in complex with the C-terminal peptide from nectin-3

Analyse Crystal structure of afadin PDZ domain in complex with the C-terminal peptide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3AXA
Type
protein
Length
194 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Afadin, nectin-3
UniProt
Q9QZQ1, Q9JLB9
Pockets
2 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAfadin, nectin-3protein9714% helix, 38% strandQ9QZQ1, Q9JLB9

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11520.410.7425empty
21400.390.7421empty

Interfaces

1 interface between chains.

  • A–B · 280 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 3AXA · Crystal structure of afadin PDZ domain in complex with the C-terminal peptide from… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9QZQ1 · AlphaFold monomer V2.0 prediction for afadin (Q9QZQ1) · a predicted model of the same protein · chain B against A, TM-score 0.86
  • Q9JLB9 · AlphaFold monomer V2.0 prediction for nectin-3 (Q9JLB9) · a predicted model of the same protein · chain A against A, TM-score 0.28

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