6FJH

Crystal structure of the seleniated LkcE from Streptomyces rochei


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.15 Å
  • R-Value Free: 0.240 
  • R-Value Work: 0.198 
  • R-Value Observed: 0.200 

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Ligand Structure Quality Assessment 


This is version 1.1 of the entry. See complete history


Literature

Insights into a dual function amide oxidase/macrocyclase from lankacidin biosynthesis.

Dorival, J.Risser, F.Jacob, C.Collin, S.Drager, G.Paris, C.Chagot, B.Kirschning, A.Gruez, A.Weissman, K.J.

(2018) Nat Commun 9: 3998-3998

  • DOI: https://doi.org/10.1038/s41467-018-06323-w
  • Primary Citation of Related Structures:  
    6F32, 6F7L, 6F7V, 6FJH

  • PubMed Abstract: 

    Acquisition of new catalytic activity is a relatively rare evolutionary event. A striking example appears in the pathway to the antibiotic lankacidin, as a monoamine oxidase (MAO) family member, LkcE, catalyzes both an unusual amide oxidation, and a subsequent intramolecular Mannich reaction to form the polyketide macrocycle. We report evidence here for the molecular basis for this dual activity. The reaction sequence involves several essential active site residues and a conformational change likely comprising an interdomain hinge movement. These features, which have not previously been described in the MAO family, both depend on a unique dimerization mode relative to all structurally characterized members. Taken together, these data add weight to the idea that designing new multifunctional enzymes may require changes in both architecture and catalytic machinery. Encouragingly, however, our data also show LkcE to bind alternative substrates, supporting its potential utility as a general cyclization catalyst in synthetic biology.


  • Organizational Affiliation

    UMR 7365, Ingénierie Moléculaire et Physiopathologie Articulaire (IMoPA), CNRS-Université de Lorraine, Biopôle de l'Université de Lorraine, Campus Biologie Santé, 9 Avenue de la Forêt de Haye, BP 20199, 54505, Vandœuvre-lès-Nancy Cedex, France.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
LkcE
A, B
442Streptomyces rochei subsp. volubilisMutation(s): 0 
Gene Names: lkcE
UniProt
Find proteins for G4V2H3 (Streptomyces rochei subsp. volubilis)
Explore G4V2H3 
Go to UniProtKB:  G4V2H3
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupG4V2H3
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.15 Å
  • R-Value Free: 0.240 
  • R-Value Work: 0.198 
  • R-Value Observed: 0.200 
  • Space Group: P 41 21 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 125.3α = 90
b = 125.3β = 90
c = 154.53γ = 90
Software Package:
Software NamePurpose
BUSTERrefinement
XDSdata reduction
PHASERphasing
SHELXDEphasing
PDB_EXTRACTdata extraction
XSCALEdata scaling

Structure Validation

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Ligand Structure Quality Assessment 


Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
French National Research AgencyFrancePKS-PPIs / AAP JCJC SVS3 8 2011

Revision History  (Full details and data files)

  • Version 1.0: 2018-09-19
    Type: Initial release
  • Version 1.1: 2018-10-10
    Changes: Data collection, Database references