3CHB Toxin date Mar 24, 1998
title Cholera Toxin B-Pentamer Complexed With Gm1 Pentasaccharide
authors E.A.Merritt, W.G.J.Hol
compound source
Molecule: Cholera Toxin
Chain: D, E, F, G, H
Fragment: B-Pentamer
Engineered: Yes
Mutation: H94r
Biological_unit: Pentamer
Other_details: Receptor Binding Site On Each Monomer Occupied By Gm1 Pentasaccharide
 Organism_scientific: Vibrio Cholerae
Strain: Ogawa 41 (Classical Biotype)
Expression_system: Escherichia Coli
symmetry Space Group: C 1 2 1
R_factor
crystal
cell
length a length b length c angle alpha angle beta angle gamma
102.124 66.176 78.221 90.00 106.33 90.00
method X-Ray Diffractionresolution 1.25 Å
ligand GAL, GLC, MES, NGA, SIA, UNX enzyme
note 3CHB is a representative structure
similarity Belongs to the Enterotoxin_b family.
subunit The a subunit contains two chains, a1 and a2, linked by a disulfide bridge. The holotoxin (choleragen) consists of a pentameric ring of b subunits whose central pore is occupied by the a subunit.
gene ctxB (V. cholerae)
function It can bind five gm1 gangliosides. The b subunit pentameric ring directs the a subunit to its target by binding to the gm1 gangliosides present on the surface of the intestinal epithelial cells. It has no toxic activity by itself.
Gene
Ontology
ChainFunctionProcessComponent
H, F, D, G, E
  • pathogenesis
  • extracellular region
  • membrane
    • Primary referenceThe 1.25 A resolution refinement of the cholera toxin B-pentamer: evidence of peptide backbone strain at the receptor-binding site., Merritt EA, Kuhn P, Sarfaty S, Erbe JL, Holmes RK, Hol WG, J Mol Biol 1998 Oct 9;282(5):1043-59. PMID:9753553
    Data retrieval
  • Asymmetric unit, PDB entry: [header only] [complete with coordinates] (241 Kb) [Save to disk]
  • Biological Unit Coordinates (3chb.pdb1.gz) 213 Kb
  • CSU: Contacts of Structural Units for 3CHB
  • Likely Quarternary Molecular Structure file(s) for 3CHB
  • Structure Factors (2176 Kb)
  • Retrieve 3CHB in mmCIF format [Save to disk]
    • View 3CHB in 3D
  • On Jmol, a nice Rasmol like molecule viewer. This is good for easiest viewing of basic structure.
  • On FirstGlance, an excellent tool for a guided tour on the structure components, by E. Martz.
  • On AstexViewer, from MSD-EBI (viewer documentation).
  • On RasMol (Install RasMol freeware) Here's help on how to use RasMol.
    • Visual 3D analysis of 3CHB
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  • STING, shows the sequence and maps the locations of sequence residues or residue ranges onto the 3D structure.
  • GRASS (Graphical Representation and Analysis of Structure Server)
  • Cartoon representation from PDB Cartoon
  • Ramachandran plot from PDBSum
    • Structure-derived information
  • Conformational Epitope Prediction for 3CHB 3CHBD 3CHBE 3CHBF 3CHBG 3CHBH from the CEP Server.
  • Electron Density related parameters from EDS Electron Density Server, at Upsala
  • Dipole moment, from Dipole Server at Weizmann Institute
  • Crystal Contacts, from CryCo at Weizmann Institute
  • 3D motif for 3CHB, from MSDmotif at EBI
  • Classification of representative domains in scop (Structural Classification of Proteins)
        - Domain d3chbd_, region D [Jmol] [rasmolscript] [script source]
        - Domain d3chbe_, region E [Jmol] [rasmolscript] [script source]
        - Domain d3chbf_, region F [Jmol] [rasmolscript] [script source]
        - Domain d3chbg_, region G [Jmol] [rasmolscript] [script source]
        - Domain d3chbh_, region H [Jmol] [rasmolscript] [script source]
  • Fold representative 3chb from FSSP and Dali (Families of Structurally Similar Proteins)
  • Class (fold), Architecture (subfold), Topology, Homologous superfamily from CATH
  • Summaries and structural analyses of PDB data files from PDBSum
  • Identification of Protein Pockets & Cavities at CASTp
    • Sequence-derived information
  • View one-letter amino acid or nucleotide sequence for each chain: [3chb_F] [3chb_E] [3chb_G] [3chb_D] [3chb_H]
    • Other resources with information on 3CHB
  • InterPro: IPR001835
  • PDBREPORT (protein verification by WHAT_CHECK procedures)
  • MMDB (Entrez's Structure Database)
    • Movements, Movies and Images
  • Images from IMB Jena Image Library of Biological Macromolecules.

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