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Crystal structure of ATG7CTD-ATG8-mgatp complex

Analyse Crystal structure of ATG7CTD-ATG8-mgatp complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3VH4
Type
protein
Length
433 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin-like modifier-activating enzyme ATG7; Autophagy-related protein 8
UniProt
P38862, P38182
Ligands
ATP, ZN, MG
Pockets
1 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitin-like modifier-activating enzyme ATG7protein32043% helix, 16% strandP38862
BAutophagy-related protein 8protein11332% helix, 24% strandP38182

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains A, B
  • ZN · Zinc ion · metal · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15940.740.8183ATP, MG

Interfaces

1 interface between chains.

  • A–B · 1552 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 3VH4 · Crystal structure of Atg7CTD-Atg8-MgATP complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P38862 · AlphaFold monomer V2.0 prediction for ubiquitin-like modifier- activating enzyme ATG7… · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P38182 · AlphaFold monomer V2.0 prediction for autophagy-related protein 8 (P38182) · a predicted model of the same protein · chain B against A, TM-score 0.94

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