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Complex of potato ATG8 protein with a peptide from irish potato famine pathogen effector protein PEXRD54

Analyse Complex of potato ATG8 protein with a peptide from irish potato famine pathogen… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5L83
Type
protein
Length
234 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Asp-TRP-glu-ile-val; Autophagy-related protein
UniProt
M1C146
Ligands
SO4
Pockets
3 · best druggability 0.50

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, DAsp-TRP-glu-ile-valprotein50% helix, 40% strand—
A, BAutophagy-related proteinprotein11235% helix, 23% strandM1C146

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 7 copies · chains A, C, B
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A, 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11540.500.7832empty
21260.470.7821SO4
3720.320.7519empty

Interfaces

3 interfaces between chains.

  • A–B · 695 Ų buried · 8 hydrogen bonds · protein-protein
  • C–B · 488 Ų buried · 10 hydrogen bonds · protein-protein
  • D–A · 472 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 5L83 · Complex of potato ATG8 protein with a peptide from Irish potato famine pathogen effector… · the same entry in another collection · chain C against C, TM-score 1.00
  • M1C146 · AlphaFold monomer V2.0 prediction for autophagy-related protein 8C-like (M1C146) · a predicted model of the same protein · chain A against A, TM-score 0.96

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