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Crystal structure of the candida glabrata glycogen debranching enzyme (W470A E564Q) in complex with maltononaose

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
7EKX
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 · 35% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B4-alpha-glucanotransferase (EC 2.4.1.25, 3.2.1.33)protein152635% helix, 16% strandQ6FSK0

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 17 copies · chains B, A

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

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18090.840.8682empty
210430.830.8496empty
3630.740.9928empty
45440.720.8160empty
55800.720.8072empty

Interfaces

1 interface between chains.

  • A–B · 215 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 7EKX · Crystal Structure of the Candida Glabrata Glycogen Debranching Enzyme (W470A E564Q) in… · the same entry in another collection · chain A against A, TM-score 1.00

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