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A new PL6 alginate lyase complex with trisaccharide

Analyse A new PL6 alginate lyase complex with trisaccharide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Z9T
Type
protein
Length
998 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alginate lyase alyf-OU02
Ligands
LGU, NA
Pockets
7 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAlginate lyase alyf-OU02protein4998% helix, 36% strand—

Ligands and binding sites

  • LGU · alpha-L-gulopyranuronic acid · ligand · 6 copies · chains A, B
  • NA · Sodium ion · metal · 2 copies · chains A, B
  • MLI · Malonate ion · additive · 2 copies · chains A, B
  • GOL · Glycerol · additive · 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
19320.740.7796GOL
22620.640.8238LGU, MLI
32520.620.8138LGU, MLI
4940.470.8017empty
51080.460.7920empty

Interfaces

1 interface between chains.

  • A–B · 610 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 5Z9T · a new PL6 alginate lyase complex with trisaccharide · the same entry in another collection · chain A against A, TM-score 1.00

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