2AD6

crystal structure of methanol dehydrogenase from M. W3A1 (form C)


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.50 Å
  • R-Value Free: 0.177 
  • R-Value Work: 0.156 
  • R-Value Observed: 0.156 

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This is version 1.4 of the entry. See complete history


Literature

The enzymatic reaction-induced configuration change of the prosthetic group PQQ of methanol dehydrogenase

Li, J.Gan, J.-H.Mathews, F.S.Xia, Z.-X.

(2011) Biochem Biophys Res Commun 406: 621-626

  • DOI: https://doi.org/10.1016/j.bbrc.2011.02.107
  • Primary Citation of Related Structures:  
    2AD6, 2AD7, 2AD8

  • PubMed Abstract: 

    Methanol dehydrogenase is a heterotetrameric enzyme containing the prosthetic group pyrroloquinoline quinone (PQQ), which catalyzes the oxidation of methanol to formaldehyde. The crystal structure of methanol dehydrogenase from Methylophilus W3A1, previously determined at high resolution, exhibits a non-planar configuration of the PQQ ring system and lends support for a hydride transfer mechanism of the enzymatic reaction catalyzed by the enzyme. To investigate why PQQ is in the C5-reduced form and to better understand the catalytic mechanism of the enzyme, three structures of this enzyme in a new crystal form have been determined at higher resolution. Two of the three crystals were grown in the presence of 1 and 50 mM methanol, respectively, both structures of which show non-planar configurations of the PQQ ring system, confirming the previous conclusion; the other was crystallized in the presence of 50 mM ethanol, the structure of which displays a planar ring system for PQQ. Comparison of these structures reveals that the configuration change of PQQ is induced by the enzymatic reaction. The reaction takes place and the C5-reduced PQQ intermediate is produced when the enzyme co-crystallizes with methanol, but the enzymatic reaction does not take place and the PQQ ring retains a planar configuration of the oxidized orthoquinone form when ethanol instead of methanol is present in the crystallization solution.


  • Organizational Affiliation

    State Key Laboratory of Bio-organic and Natural Products Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai 200032, China.


Macromolecules
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Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Methanol dehydrogenase subunit 1
A, C
571Methylophilus methylotrophus W3A1Mutation(s): 0 
EC: 1.1.99.8 (PDB Primary Data), 1.1.2.7 (UniProt)
UniProt
Find proteins for P38539 (Methylophilus methylotrophus)
Explore P38539 
Go to UniProtKB:  P38539
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP38539
Sequence Annotations
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  • Reference Sequence
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
Methanol dehydrogenase subunit 2
B, D
69Methylophilus methylotrophus W3A1Mutation(s): 0 
EC: 1.1.99.8 (PDB Primary Data), 1.1.2.7 (UniProt)
UniProt
Find proteins for P38540 (Methylophilus methylotrophus)
Explore P38540 
Go to UniProtKB:  P38540
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP38540
Sequence Annotations
Expand
  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.50 Å
  • R-Value Free: 0.177 
  • R-Value Work: 0.156 
  • R-Value Observed: 0.156 
  • Space Group: C 1 2 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 201.583α = 90
b = 61.947β = 123.3
c = 123.804γ = 90
Software Package:
Software NamePurpose
CNSrefinement
HKL-2000data reduction
SCALEPACKdata scaling
AMoREphasing

Structure Validation

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Ligand Structure Quality Assessment 


Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2006-07-25
    Type: Initial release
  • Version 1.1: 2008-04-30
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Source and taxonomy, Version format compliance
  • Version 1.3: 2013-09-18
    Changes: Database references
  • Version 1.4: 2024-11-13
    Changes: Data collection, Database references, Derived calculations, Structure summary