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Phosphoglucose isomerase of aspergillus fumigatus in complexed with glucose-6-phosphate

Analyse Phosphoglucose isomerase of aspergillus fumigatus in complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7OYL
Type
protein
Length
557 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glucose-6-phosphate isomerase
EC
5.3.1.9
UniProt
A0A229XY52
Ligands
BG6, NA, CL
Pockets
4 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 54% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlucose-6-phosphate isomerase (EC 5.3.1.9)protein55754% helix, 12% strandA0A229XY52

Ligands and binding sites

  • BG6 · 6-O-phosphono-beta-D-glucopyranose · sugar · chains A
  • NA · Sodium ion · metal · chains A
  • CL · Chloride ion · ion · 2 copies · chains A
  • GOL · Glycerol · additive · 5 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12900.600.7939BG6
2670.470.8317GOL
31340.450.7721empty
4950.380.7623GOL

Compared structures

  • 7OYL · Phosphoglucose isomerase of Aspergillus fumigatus in complexed with Glucose-6-phosphate · the same entry in another collection · chain A against A, TM-score 1.00

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