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Amylosucrase soaked with 1M sucrose

Analyse Amylosucrase soaked with 1M sucrose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1MW3
Type
protein
Length
628 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Amylosucrase
EC
2.4.1.4
UniProt
Q9ZEU2
Ligands
GLC, FRU
Pockets
4 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAmylosucrase (EC 2.4.1.4)protein62843% helix, 15% strandQ9ZEU2

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 3 copies · chains A
  • FRU · beta-D-fructofuranose · sugar · 3 copies · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14310.750.8452TRS
21760.560.8030empty
3700.390.7913empty
4540.250.7212empty

Compared structures

  • 1MW3 · Amylosucrase soaked with 1M sucrose · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9ZEU2 · AlphaFold monomer V2.0 prediction for amylosucrase (Q9ZEU2) · a predicted model of the same protein · chain A against A, TM-score 1.00

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