9HYX | pdb_00009hyx

AlfB fucosidase in complex with Fucose


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.30 Å
  • R-Value Free: 
    0.197 (Depositor), 0.199 (DCC) 
  • R-Value Work: 
    0.173 (Depositor), 0.175 (DCC) 
  • R-Value Observed: 
    0.174 (Depositor) 

Starting Model: experimental
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Ligand Structure Quality Assessment 


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Literature

Unveiling the structural bases of alpha-L-fucosidase B activity through mutants boosting transfucosylation efficiency.

Becerra, J.E.Gallego Del Sol, F.Rubio-Del-Campo, A.Rodriguez-Diaz, J.Monedero, V.Marina, A.Yebra, M.J.

(2025) Int J Biol Macromol 311: 143462-143462

  • DOI: https://doi.org/10.1016/j.ijbiomac.2025.143462
  • Primary Citation of Related Structures:  
    8OZT, 8OZU, 9HY7, 9HYJ, 9HYX, 9HZ1

  • PubMed Abstract: 

    The AlfB α-L-fucosidase from Lacticaseibacillus paracasei exhibits high specificity on fucosyl-α1,3-N-acetylglucosamine, achieving yields of 30 % in transfucosylation reactions for its synthesis. By random mutagenesis we selected AlfB variants with enhanced transfucosylation activity. Expression of a collection of alfB mutants in E. coli resulted in the isolation of eighteen clones with reduced activity on p-nitrophenyl-α-L-fucopyranoside. The AlfB variants carried diverse amino substitutions, leading to modifications in their enzymatic parameters. In some cases, these changes increased transfucosylation yields, although no direct correlation was observed between k cat or K m values and the yields. One particular AlfB mutant (M58) achieved 100 % yield in the synthesis of fucosyl-α1,3-N-acetylglucosamine. This enzyme contained three amino acid substitutions (N196S, V261M and N346K); however, further analysis confirmed that the N346K mutation was sufficient to generate the maximum yield. Elucidation of the tridimensional structure of AlfB and AlfBM58 through X-ray crystallography allowed us to propose a mechanism by which the mutation at position 346, located in a loop close to the active site of an adjacent monomer in the protein tetramer, enhanced transfucosylation over hydrolysis of fucosyl-α1,3-N-acetylglucosamine. This study paves the way for designing novel AlfB variants as tools for the efficient enzymatic synthesis of regio-specific fucosyl-oligosaccharides of biotechnological interest.


  • Organizational Affiliation
    • Laboratorio de Bacterias Lácticas y Probióticos, Departamento de Biotecnología de Alimentos, Instituto de Agroquímica y Tecnología de Alimentos (IATA-CSIC), Valencia, Spain.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Alpha-L-fucosidase
A, B, C, D, E
A, B, C, D, E, F
414Lacticaseibacillus paracaseiMutation(s): 0 
Gene Names: C0Q90_04930
UniProt
Find proteins for A0AB36XDR5 (Lacticaseibacillus paracasei)
Explore A0AB36XDR5 
Go to UniProtKB:  A0AB36XDR5
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupA0AB36XDR5
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.30 Å
  • R-Value Free:  0.197 (Depositor), 0.199 (DCC) 
  • R-Value Work:  0.173 (Depositor), 0.175 (DCC) 
  • R-Value Observed: 0.174 (Depositor) 
Space Group: C 2 2 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 168.299α = 90
b = 309.675β = 90
c = 173.974γ = 90
Software Package:
Software NamePurpose
REFMACrefinement
XDSdata reduction
Aimlessdata scaling
MOLREPphasing

Structure Validation

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Ligand Structure Quality Assessment 


Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
Ministerio de Ciencia e Innovacion (MCIN)Spain--

Revision History  (Full details and data files)

  • Version 1.0: 2025-06-04
    Type: Initial release