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MolNFT v1 · #113929 · protein

Arthrobacter globiformis T6 isomalto-dextranse complexed with panose

5AWQ · Isomaltodextranase: “Arthrobacter globiformis T6 isomalto-dextranse complexed with panose”. X-ray diffraction, 2 ligands (GLC, PO4), 5 pockets (best druggability 0.74). MolNFT v1 #113929 on GenesisL1: 3D structure, binding sites and…

PDB
5AWQ
Type
protein
Length
596 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Isomaltodextranase
UniProt
Q7WSN5
Ligands
GLC, PO4
Pockets
5 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIsomaltodextranaseprotein59626% helix, 30% strandQ7WSN5

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 5 copies · chains A
  • PO4 · Phosphate ion · ion · 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1610.740.9919empty
22440.570.7835GLC
3840.540.8528empty
41300.430.7629empty
51240.380.7418empty

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

  • 5AWQ · Arthrobacter globiformis T6 isomalto-dextranse complexed with panose · the same entry in another collection · chain A against A, TM-score 1.00

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