7CIG

Crystal structure of L-methionine decarboxylase Q64A mutant from Streptomyces sp.590 in complexed with L- methionine methyl ester (geminal diamine form).


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.45 Å
  • R-Value Free: 0.194 
  • R-Value Work: 0.175 
  • R-Value Observed: 0.176 

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Ligand Structure Quality Assessment 


This is version 2.1 of the entry. See complete history


Literature

Structural basis for substrate specificity of l-methionine decarboxylase.

Okawa, A.Shiba, T.Hayashi, M.Onoue, Y.Murota, M.Sato, D.Inagaki, J.Tamura, T.Harada, S.Inagaki, K.

(2021) Protein Sci 30: 663-677

  • DOI: https://doi.org/10.1002/pro.4027
  • Primary Citation of Related Structures:  
    7CIF, 7CIG, 7CII, 7CIJ, 7CIM

  • PubMed Abstract: 

    l -Methionine decarboxylase (MetDC) from Streptomyces sp. 590 is a vitamin B 6 -dependent enzyme and catalyzes the non-oxidative decarboxylation of l -methionine to produce 3-methylthiopropylamine and carbon dioxide. We present here the crystal structures of the ligand-free form of MetDC and of several enzymatic reaction intermediates. Group II amino acid decarboxylases have many residues in common around the active site but the residues surrounding the side chain of the substrate differ. Based on information obtained from the crystal structure, and mutational and biochemical experiments, we propose a key role for Gln64 in determining the substrate specificity of MetDC, and for Tyr421 as the acid catalyst that participates in protonation after the decarboxylation reaction.


  • Organizational Affiliation

    Department of Biofunctional Chemistry, Okayama University, Okayama, Japan.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
L-methionine decarboxylase
A, B
557Streptomyces sp. 590 KI-2014Mutation(s): 1 
EC: 4.1.1.57
UniProt
Find proteins for A0A0G4DBU7 (Streptomyces sp. 590 KI-2014)
Explore A0A0G4DBU7 
Go to UniProtKB:  A0A0G4DBU7
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupA0A0G4DBU7
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
G03 (Subject of Investigation/LOI)
Query on G03

Download Ideal Coordinates CCD File 
C [auth A],
D [auth B]
methyl (2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate
C14 H23 N2 O7 P S
XFBSUAILPATRCO-LBPRGKRZSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.45 Å
  • R-Value Free: 0.194 
  • R-Value Work: 0.175 
  • R-Value Observed: 0.176 
  • Space Group: C 1 2 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 125.037α = 90
b = 147.378β = 100.01
c = 53.828γ = 90
Software Package:
Software NamePurpose
REFMACrefinement
XDSdata reduction
XDSdata scaling
MOLREPphasing

Structure Validation

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Ligand Structure Quality Assessment 


Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2021-01-27
    Type: Initial release
  • Version 1.1: 2021-03-03
    Changes: Database references
  • Version 2.0: 2021-12-15
    Changes: Advisory, Atomic model, Data collection, Database references, Derived calculations, Polymer sequence, Structure summary
  • Version 2.1: 2023-11-29
    Changes: Data collection, Refinement description