1LTA

2.2 ANGSTROMS CRYSTAL STRUCTURE OF E. COLI HEAT-LABILE ENTEROTOXIN (LT) WITH BOUND GALACTOSE

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.20 Å
  • R-Value Work: 0.175 
  • R-Value Observed: 0.175 

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This is version 1.3 of the entry. See complete history. 


Literature

Galactose-binding site in Escherichia coli heat-labile enterotoxin (LT) and cholera toxin (CT).

Merritt, E.A., Sixma, T.K., Kalk, K.H., van Zanten, B.A., Hol, W.G.

(1994) Mol Microbiol 13: 745-753

  • DOI: https://doi.org/10.1111/j.1365-2958.1994.tb00467.x
  • Primary Citation of Related Structures:  
    1LTA

  • PubMed Abstract: 

    The galactose-binding site in cholera toxin and the closely related heat-labile enterotoxin (LT) from Escherichia coli is an attractive target for the rational design of potential anti-cholera drugs. In this paper we analyse the molecular structure of this binding site as seen in several crystal structures, including that of an LT:galactose complex which we report here at 2.2 A resolution. The binding surface on the free toxin contains several tightly associated water molecules and a relatively flexible loop consisting of residues 51-60 of the B subunit. During receptor binding this loop becomes tightly ordered by forming hydrogen bonds jointly to the GM1 pentasaccharide and to a set of water molecules which stabilize the toxin:receptor complex.

    • Organizational Affiliation: 

    Department of Biological Structure SM-20, University of Washington, Seattle 98195.


Macromolecules
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Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
HEAT-LABILE ENTEROTOXIN, SUBUNIT BA [auth D],
B [auth E],
C [auth F],
D [auth G],
E [auth H]		103Escherichia coliMutation(s): 0 
UniProt
Find proteins for P32890 (Escherichia coli)
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UniProt GroupP32890
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  • Reference Sequence
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Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
HEAT-LABILE ENTEROTOXIN, SUBUNIT AF [auth A]188Escherichia coliMutation(s): 0 
UniProt
Find proteins for P06717 (Escherichia coli)
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UniProt GroupP06717
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Entity ID: 3
MoleculeChains Sequence LengthOrganismDetailsImage
HEAT-LABILE ENTEROTOXIN, SUBUNIT AG [auth C]49Escherichia coliMutation(s): 0 
UniProt
Find proteins for P06717 (Escherichia coli)
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UniProt GroupP06717
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.20 Å
  • R-Value Work: 0.175 
  • R-Value Observed: 0.175 
  • Space Group: P 21 21 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 70.7α = 90
b = 73.5β = 90
c = 163.3γ = 90
Software Package:
Software NamePurpose
X-PLORmodel building
X-PLORrefinement
X-PLORphasing

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 1994-01-31
    Type: Initial release
  • Version 1.1: 2008-03-24
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2020-07-29
    Type: Remediation
    Reason: Carbohydrate remediation
    Changes: Data collection, Derived calculations, Other, Structure summary