8ZN0 | pdb_00008zn0

The Crystal Structure of an Atypical N-methyltransferasea PaOMT9 in P. amurense


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.80 Å
  • R-Value Free: 
    0.204 (Depositor), 0.206 (DCC) 
  • R-Value Work: 
    0.161 (Depositor), 0.162 (DCC) 
  • R-Value Observed: 
    0.217 (Depositor) 

Starting Model: experimental
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This is version 1.1 of the entry. See complete history


Literature

Convergent evolution of berberine biosynthesis.

Xu, Z.Tian, Y.Wang, J.Ma, Y.Li, Q.Zhou, Y.Zhang, W.Liu, T.Kong, L.Wang, Y.Xie, Z.An, Z.Zheng, B.Zhang, Y.Cao, C.Liu, C.Tian, L.Fan, C.Liu, J.Yao, H.Song, J.Duan, B.Liu, H.Gao, R.Sun, W.Chen, S.

(2024) Sci Adv 10: eads3596-eads3596

  • DOI: https://doi.org/10.1126/sciadv.ads3596
  • Primary Citation of Related Structures:  
    8ZN0

  • PubMed Abstract: 

    Berberine is an effective antimicrobial and antidiabetic alkaloid, primarily extracted from divergent botanical lineages, specifically Coptis (Ranunculales, early-diverging eudicot) and Phellodendron (Sapindales, core eudicot). In comparison with its known pathway in Coptis species, its biosynthesis in Phellodendron species remains elusive. Using chromosome-level genome assembly, coexpression matrix, and biochemical assays, we identified six key steps in berberine biosynthesis from Phellodendron amurense , including methylation, hydroxylation, and berberine bridge formation. Notably, we discovered a specific class of O -methyltransferases (NOMT) responsible for N -methylation. Structural analysis and mutagenesis of PaNOMT9 revealed its unique substrate-binding conformation. In addition, unlike the classical FAD-dependent berberine bridge formation in Ranunculales, Phellodendron uses a NAD(P)H-dependent monooxygenase (PaCYP71BG29) for berberine bridge formation, originating from the neofunctionalization of tryptamine 5-hydroxylase. Together, these findings reveal the convergence of berberine biosynthesis between Coptis and Phellodendron and signify the role of the convergent evolution in plant specialized metabolisms.


  • Organizational Affiliation
    • Key Laboratory of Saline-alkali Vegetation Ecology Restoration (Northeast Forestry University), Ministry of Education, Harbin 150040, China.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
PaOMT9
A, B
359Phellodendron amurenseMutation(s): 0 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.80 Å
  • R-Value Free:  0.204 (Depositor), 0.206 (DCC) 
  • R-Value Work:  0.161 (Depositor), 0.162 (DCC) 
  • R-Value Observed: 0.217 (Depositor) 
Space Group: P 43
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 66.346α = 90
b = 66.346β = 90
c = 167.429γ = 90
Software Package:
Software NamePurpose
PHENIXrefinement
autoPROCdata reduction
Aimlessdata scaling
PHENIXphasing

Structure Validation

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Ligand Structure Quality Assessment 


Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
Not funded--

Revision History  (Full details and data files)

  • Version 1.0: 2025-05-28
    Type: Initial release
  • Version 1.1: 2025-12-10
    Changes: Database references