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Cycloalternan-degrading enzyme from trueperella pyogenes in complex with covalent intermediate

Analyse Cycloalternan-degrading enzyme from trueperella pyogenes in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5I0F
Type
protein
Length
729 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycoside hydrolase family 31
UniProt
X4QP62
Ligands
GLC, BGC, CA
Pockets
6 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BGlycoside hydrolase family 31protein72925% helix, 27% strandX4QP62

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 3 copies · chains B
  • BGC · beta-D-glucopyranose · sugar · chains B
  • CA · Calcium ion · metal · 8 copies · chains B
  • PGE · Triethylene glycol · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16420.750.8152CA, PGE
22820.590.7835GLC, BGC
31470.410.7425empty
4870.330.7420empty
5830.320.7318empty

Modifications

Observed in the structure: 1 glycan (glycosylation).

Compared structures

  • 5I0F · Cycloalternan-degrading enzyme from Trueperella pyogenes in complex with covalent… · the same entry in another collection · chain B against B, TM-score 1.00

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