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Crystal structure of the complex of group II phospholipase A2 with eugenol

Analyse Crystal structure of the complex of group II phospholipase A2 with eugenol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2QU9
Type
protein
Length
121 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phospholipase A2 vrv-pl-viiia
EC
3.1.1.4
UniProt
P59071
Ligands
EUG, SO4
Pockets
1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhospholipase A2 vrv-pl-viiia (EC 3.1.1.4)protein12148% helix, 7% strandP59071

Ligands and binding sites

  • EUG · 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol · ligand · chains A
  • SO4 · Sulfate ion · ion · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11380.500.7919EUG

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 2QU9 · Crystal structure of the complex of group II phospholipase A2 with Eugenol · the same entry in another collection · chain A against A, TM-score 1.00
  • P59071 · AlphaFold monomer V2.0 prediction for basic phospholipase A2 vrv-pl- viiia (P59071) · a predicted model of the same protein · chain A against A, TM-score 0.99

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