4F0X

Crystal structure of human Malonyl-CoA Decarboxylase (Peroxisomal Isoform)


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.29 Å
  • R-Value Free: 0.267 
  • R-Value Work: 0.244 
  • R-Value Observed: 0.246 

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This is version 1.3 of the entry. See complete history


Literature

Structural Asymmetry and Disulfide Bridges among Subunits Modulate the Activity of Human Malonyl-CoA Decarboxylase.

Aparicio, D.Perez-Luque, R.Carpena, X.Diaz, M.Ferrer, J.C.Loewen, P.C.Fita, I.

(2013) J Biol Chem 288: 11907-11919

  • DOI: https://doi.org/10.1074/jbc.M112.443846
  • Primary Citation of Related Structures:  
    4F0X

  • PubMed Abstract: 

    Decarboxylation of malonyl-CoA to acetyl-CoA by malonyl-CoA decarboxylase (MCD; EC 4.1.1.9) is an essential facet in the regulation of fatty acid metabolism. The structure of human peroxisomal MCD reveals a molecular tetramer that is best described as a dimer of structural heterodimers, in which the two subunits present markedly different conformations. This molecular organization is consistent with half-of-the-sites reactivity. Each subunit has an all-helix N-terminal domain and a catalytic C-terminal domain with an acetyltransferase fold (GNAT superfamily). Intersubunit disulfide bridges, Cys-206-Cys-206 and Cys-243-Cys-243, can link the four subunits of the tetramer, imparting positive cooperativity to the catalytic process. The combination of a half-of-the-sites mechanism within each structural heterodimer and positive cooperativity in the tetramer produces a complex regulatory picture that is further complicated by the multiple intracellular locations of the enzyme. Transport into the peroxisome has been investigated by docking human MCD onto the peroxisomal import protein peroxin 5, which revealed interactions that extend beyond the C-terminal targeting motif.


  • Organizational Affiliation

    Institut de Biologia Molecular de Barcelona, Consejo Superior de Investigaciones Científicas, 08028 Barcelona, Spain.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Malonyl-CoA decarboxylase, mitochondrial
A, B, C, D, E
A, B, C, D, E, F, G, H
458Homo sapiensMutation(s): 0 
Gene Names: DCYLMMLYCD
EC: 4.1.1.9
UniProt & NIH Common Fund Data Resources
Find proteins for O95822 (Homo sapiens)
Explore O95822 
Go to UniProtKB:  O95822
PHAROS:  O95822
GTEx:  ENSG00000103150 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupO95822
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.29 Å
  • R-Value Free: 0.267 
  • R-Value Work: 0.244 
  • R-Value Observed: 0.246 
  • Space Group: P 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 80.42α = 95.32
b = 103.31β = 90.22
c = 134.24γ = 94.46
Software Package:
Software NamePurpose
SHELXSphasing
BUSTERrefinement
XDSdata reduction
XDSdata scaling

Structure Validation

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Ligand Structure Quality Assessment 


Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2013-03-20
    Type: Initial release
  • Version 1.1: 2013-03-27
    Changes: Database references
  • Version 1.2: 2013-05-15
    Changes: Database references
  • Version 1.3: 2024-02-28
    Changes: Data collection, Database references, Derived calculations