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Crystal structure of glucose dehydrogenase

Analyse Crystal structure of glucose dehydrogenase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7CDY
Type
protein
Length
690 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glucose dehydrogenase
Ligands
CA
Pockets
7 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlucose dehydrogenaseprotein3464% helix, 44% strand—
BGlucose dehydrogenaseprotein3444% helix, 44% strand—

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A, B
  • GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16850.700.7755empty
24430.640.7729empty
32980.590.7835GOL
4800.350.7516empty
51090.340.7323empty

Interfaces

1 interface between chains.

  • A–B · 472 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 7CDY · Crystal structure of glucose dehydrogenase · the same entry in another collection · chain A against A, TM-score 1.00

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