1LE8

Crystal Structure of the MATa1/MATalpha2-3A Heterodimer Bound to DNA Complex


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.30 Å
  • R-Value Free: 0.299 
  • R-Value Work: 0.256 

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This is version 1.4 of the entry. See complete history


Literature

Structural and Thermodynamic Characterization of the DNA Binding Properties of a Triple Alanine Mutant of MATalpha2

Ke, A.Mathias, J.R.Vershon, A.K.Wolberger, C.

(2002) Structure 10: 961-971

  • DOI: https://doi.org/10.1016/s0969-2126(02)00790-6
  • Primary Citation of Related Structures:  
    1LE8

  • PubMed Abstract: 

    Triply mutated MATalpha2 protein, alpha2-3A, in which all three major groove-contacting residues are mutated to alanine, is defective in binding DNA alone or in complex with Mcm1 yet binds with MATa1 with near wild-type affinity and specificity. To gain insight into this unexpected behavior, we determined the crystal structure of the a1/alpha2-3A/DNA complex. The structure shows that the triple mutation causes a collapse of the alpha2-3A/DNA interface that results in a reorganized set of alpha2-3A/DNA contacts, thereby enabling the mutant protein to recognize the wild-type DNA sequence. Isothermal titration calorimetry measurements reveal that a much more favorable entropic component stabilizes the a1/alpha2-3A/DNA complex than the alpha2-3A/DNA complex. The combined structural and thermodynamic studies provide an explanation of how partner proteins influence the sequence specificity of a DNA binding protein.


  • Organizational Affiliation

    Department of Biophysics and Biophysical Chemistry, John Hopkins University, 725 North Wolfe Street, Baltimore, MD 21205, USA.


Macromolecules

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Entity ID: 3
MoleculeChains Sequence LengthOrganismDetailsImage
MATING-TYPE PROTEIN A-1C [auth A]53N/AMutation(s): 0 
UniProt
Find proteins for P0CY10 (Saccharomyces cerevisiae)
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Go to UniProtKB:  P0CY10
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UniProt GroupP0CY10
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Entity ID: 4
MoleculeChains Sequence LengthOrganismDetailsImage
Mating-type protein alpha-2D [auth B]83Saccharomyces cerevisiaeMutation(s): 3 
Gene Names: MATalpha2
UniProt
Find proteins for P0CY08 (Saccharomyces cerevisiae (strain ATCC 204508 / S288c))
Explore P0CY08 
Go to UniProtKB:  P0CY08
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UniProt GroupP0CY08
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Entity ID: 1
MoleculeChains LengthOrganismImage
5'-D(*AP*CP*AP*TP*GP*TP*AP*AP*AP*AP*AP*TP*TP*TP*AP*CP*AP*TP*CP*A)-3'A [auth C]20N/A
Sequence Annotations
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Entity ID: 2
MoleculeChains LengthOrganismImage
5'-D(*TP*TP*GP*AP*TP*GP*TP*AP*AP*AP*TP*TP*TP*TP*TP*AP*CP*AP*TP*G)-3'B [auth D]20N/A
Sequence Annotations
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  • Reference Sequence
Small Molecules
Binding Affinity Annotations 
IDSourceBinding Affinity
DNA PDBBind:  1LE8 Kd: 4510 (nM) from 1 assay(s)
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.30 Å
  • R-Value Free: 0.299 
  • R-Value Work: 0.256 
  • Space Group: P 65
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 54.17α = 90
b = 54.17β = 90
c = 164.23γ = 120
Software Package:
Software NamePurpose
MOSFLMdata reduction
SCALEPACKdata scaling
AMoREphasing
CNSrefinement

Structure Validation

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2002-05-03
    Type: Initial release
  • Version 1.1: 2008-04-28
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2021-10-27
    Changes: Database references
  • Version 1.4: 2024-02-14
    Changes: Data collection