1LLR Toxin date Apr 30, 2002
title Cholera Toxin B-Pentamer With Ligand Bmsc-0012
authors E.A.Merritt, W.G.J.Hol
compound source
Molecule: Cholera Toxin B Subunit
Chain: D, E, F, G, H
Engineered: Yes
 Organism_scientific: Vibrio Cholerae
Organism_common: Bacteria
Gene: Ctxb
Expression_system: Escherichia Coli
Expression_system_common: Bacteria
symmetry Space Group: C 1 2 1
R_factor 0.149
crystal
cell
length a length b length c angle alpha angle beta angle gamma
102.391 65.964 78.146 90.00 105.97 90.00
method X-Ray Diffractionresolution 1.46 Å
ligand FNG, LNQ enzyme
Gene
Ontology
ChainFunctionProcessComponent
H, F, D, G, E
  • pathogenesis
  • extracellular region
    • Primary referenceCharacterization and crystal structure of a high-affinity pentavalent receptor-binding inhibitor for cholera toxin and E. coli heat-labile enterotoxin., Merritt EA, Zhang Z, Pickens JC, Ahn M, Hol WG, Fan E, J Am Chem Soc 2002 Jul 31;124(30):8818-24. PMID:12137534
    Data retrieval
  • Asymmetric unit, PDB entry: [header only] [complete with coordinates] (225 Kb) [Save to disk]
  • Biological Unit Coordinates (1llr.pdb1.gz) 195 Kb
  • CSU: Contacts of Structural Units for 1LLR
  • Likely Quarternary Molecular Structure file(s) for 1LLR
  • Structure Factors (1156 Kb)
  • Retrieve 1LLR in mmCIF format [Save to disk]
    • View 1LLR in 3D
  • On Jmol, a nice Rasmol like molecule viewer. This is good for easiest viewing of basic structure.
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    • Structure-derived information
  • Conformational Epitope Prediction for 1LLR 1LLRD 1LLRE 1LLRF 1LLRG 1LLRH 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 1LLR, from MSDmotif at EBI
  • Classification of representative domains in scop (Structural Classification of Proteins)
        - Domain d1llrd_, region D [Jmol] [rasmolscript] [script source]
        - Domain d1llre_, region E [Jmol] [rasmolscript] [script source]
        - Domain d1llrf_, region F [Jmol] [rasmolscript] [script source]
        - Domain d1llrg_, region G [Jmol] [rasmolscript] [script source]
        - Domain d1llrh_, region H [Jmol] [rasmolscript] [script source]
  • Fold representative 1llr 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: [1llr_D] [1llr_E] [1llr_F] [1llr_G] [1llr_H]
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