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The vaccinia virus H3 envelope protein, a major target of neutralizing antibodies, exhibits a glycosyltransferase fold and binds udp-glucose

Analyse The vaccinia virus H3 envelope protein, a major target of neutralizing… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5EJ0
Type
protein
Length
212 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Envelope protein H3
UniProt
P07240
Ligands
DHL, MG
Pockets
2 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEnvelope protein H3protein21232% helix, 25% strandP07240

Ligands and binding sites

  • DHL · 2-amino-ethanethiol · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • MOH · Methanol · additive · 6 copies · chains A
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A
  • PG0 · 2-(2-methoxyethoxy)ethanol · additive · 4 copies · chains A
  • EOH · Ethanol · additive · 3 copies · chains A
  • GOL · Glycerol · additive · 2 copies · chains A
  • PDO · 1,3-propandiol · additive · 2 copies · chains A
  • POL · N-propanol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1580.340.7821DHL, MOH
2530.250.7313empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 5EJ0 · The vaccinia virus H3 envelope protein, a major target of neutralizing antibodies… · the same entry in another collection · chain A against A, TM-score 1.00

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