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Crystal structure of glucose isomerase in complex with xylitol inhibitor in one metal binding mode

Analyse Crystal structure of glucose isomerase in complex with xylitol inhibitor in one… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Y4J
Type
protein
Length
384 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Xylose isomerase
EC
5.3.1.5
UniProt
P24300
Ligands
XYL, MG
Pockets
3 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AXylose isomerase (EC 5.3.1.5)protein38451% helix, 10% strandP24300

Ligands and binding sites

  • XYL · Xylitol · ligand · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1540.730.9922empty
24750.660.7852XYL
3630.490.8514empty

Compared structures

  • 5Y4J · Crystal structure of glucose isomerase in complex with xylitol inhibitor in one metal… · the same entry in another collection · chain A against A, TM-score 1.00

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