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Crystal structure of the candida glabrata glycogen debranching enzyme (W470A) in complex with maltoheptaose

Analyse Crystal structure of the candida glabrata glycogen debranching enzyme (W470A)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7EJT
Type
protein
Length
3,052 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
4-alpha-glucanotransferase
EC
2.4.1.25, 3.2.1.33
UniProt
Q6FSK0
Ligands
GLC
Pockets
20 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B4-alpha-glucanotransferase (EC 2.4.1.25, 3.2.1.33)protein152636% helix, 16% strandQ6FSK0

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 19 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19450.840.8688empty
210410.840.85106empty
35250.730.8169empty
4660.720.9720empty
5600.710.9719empty

Interfaces

1 interface between chains.

  • A–B · 462 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 7EJT · Crystal Structure of the Candida Glabrata Glycogen Debranching Enzyme (W470A) in complex… · the same entry in another collection · chain A against A, TM-score 1.00

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