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Crystal structure of prophenoloxidase activating factor-II from the beetle holotrichia diomphalia

Analyse Crystal structure of prophenoloxidase activating factor-II from the beetle… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2B9L
Type
protein
Length
372 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Prophenoloxidase activating factor
Ligands
NAG, FUC, CA, SO4
Pockets
5 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProphenoloxidase activating factorprotein37214% helix, 29% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
  • FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A
  • CA · Calcium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 7 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12740.520.7537empty
21300.480.7933SO4
31290.460.7823empty
4570.420.8216SO4
5630.290.7319empty

Modifications

Observed in the structure: 8 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 2B9L · Crystal structure of prophenoloxidase activating factor-II from the beetle Holotrichia… · the same entry in another collection · chain A against A, TM-score 1.00

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