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MolNFT v1 · #21551 · protein

Staphylococcal enterotoxin B complexed with lactose

1SE4: “Staphylococcal enterotoxin B complexed with lactose”. X-ray diffraction, 2 ligands (BGC, GAL), 1 pocket (best druggability 0.42). MolNFT v1 #21551 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1SE4
Type
protein
Length
239 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Staphylococcal enterotoxin B
UniProt
P01552
Ligands
BGC, GAL
Pockets
1 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AStaphylococcal enterotoxin Bprotein23917% helix, 38% strandP01552

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · chains A
  • GAL · beta-D-galactopyranose · sugar

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
1790.420.7920empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1SE4 · Staphylococcal enterotoxin B complexed with lactose · the same entry in another collection · chain A against A, TM-score 1.00
  • P01552 · AlphaFold monomer V2.0 prediction for enterotoxin type B (P01552) · a predicted model of the same protein · chain A against A, TM-score 0.96

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