1LT6

Experimental Data Snapshot

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.4 of the entry. See complete history.

Literature

(1997) Structure 5: 1485-1499

PubMed Abstract:
Escherichia coli heat-labile enterotoxin (LT) is the causative agent of traveller's diarrhoea, and it is also responsible for the deaths of hundreds of thousands of children per year in developing countries. LT is highly homologous in sequence, structure and function to cholera toxin (CT). Both toxins attack intestinal epithelial cells via specific binding to the branched pentasaccharide of ganglioside GM1 at the cell surface. A receptor-binding antagonist which blocked this interaction would potentially constitute a prophylactic drug conferring protection both against the severe effects of cholera itself and against the milder but more common disease caused by LT.

Organizational Affiliation

Department of Biological Structure University of Washington Seattle, WA 98195-7742, USA.

Macromolecule Content

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
HEAT-LABILE ENTEROTOXIN	A [auth D] B [auth E] C [auth F] D [auth G] E [auth H] A [auth D], B [auth E], C [auth F], D [auth G], E [auth H], F [auth L], G [auth M], H [auth N], I [auth O], J [auth P]	103	Escherichia coli	Mutation(s): 0
UniProt
Find proteins for P32890 (Escherichia coli) Explore P32890 Go to UniProtKB: P32890
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P32890
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
GAA Query on GAA Download Ideal Coordinates CCD File SDF format, chain K [auth D] SDF format, chain L [auth E] SDF format, chain M [auth F] SDF format, chain N [auth G] SDF format, chain O [auth H] SDF format, chain P [auth L] SDF format, chain Q [auth M] SDF format, chain R [auth N] SDF format, chain S [auth O] SDF format, chain T [auth P] MOL2 format, chain K [auth D] MOL2 format, chain L [auth E] MOL2 format, chain M [auth F] MOL2 format, chain N [auth G] MOL2 format, chain O [auth H] MOL2 format, chain P [auth L] MOL2 format, chain Q [auth M] MOL2 format, chain R [auth N] MOL2 format, chain S [auth O] MOL2 format, chain T [auth P]	K [auth D] L [auth E] M [auth F] N [auth G] O [auth H] K [auth D], L [auth E], M [auth F], N [auth G], O [auth H], P [auth L], Q [auth M], R [auth N], S [auth O], T [auth P]	3-nitrophenyl alpha-D-galactopyranoside C₁₂ H₁₅ N O₈ VCCMGHVCRFMITI-IIRVCBMXSA-N		Interactions Focus chain K [auth D] Focus chain L [auth E] Focus chain M [auth F] Focus chain N [auth G] Focus chain O [auth H] Focus chain P [auth L] Focus chain Q [auth M] Focus chain R [auth N] Focus chain S [auth O] Focus chain T [auth P] Interactions & Density Focus chain K [auth D] Focus chain L [auth E] Focus chain M [auth F] Focus chain N [auth G] Focus chain O [auth H] Focus chain P [auth L] Focus chain Q [auth M] Focus chain R [auth N] Focus chain S [auth O] Focus chain T [auth P]

Binding Affinity Annotations
ID	Source	Binding Affinity
GAA	PDBBind: 1LT6	IC50: 5.00e+5 (nM) from 1 assay(s)

Experimental Data & Validation

Unit Cell:

Software Package:

Entry History

Deposition Author(s):

Merritt, E.A.

Version 1.0: 1997-12-03
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, Structure summary
Version 1.4: 2023-08-09
Changes: Database references, Refinement description, Structure summary