1JR0	Toxin	date	Aug 09, 2001
title	Cholera Toxin B-Pentamer With Ligand Bmsc-0011
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
crystal cell	length a length b length c angle alpha angle beta angle gamma 102.098 66.064 78.565 90.00 105.74 90.00
method	X-Ray Diffraction	resolution	1.30 Å
ligand	A24	enzyme
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	Chain Function Process Component H, F, D, G, E pathogenesis extracellular region membrane
Primary reference	Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes., Pickens JC, Merritt EA, Ahn M, Verlinde CL, Hol WG, Fan E, Chem Biol 2002 Feb;9(2):215-24. PMID:11880036

Data retrieval

Asymmetric unit, PDB entry: [header only] [complete with coordinates] (227 Kb) [Save to disk] Biological Unit Coordinates (1jr0.pdb1.gz) 201 Kb CSU: Contacts of Structural Units for 1JR0 Likely Quarternary Molecular Structure file(s) for 1JR0 Structure Factors (1673 Kb) Retrieve 1JR0 in mmCIF format [Save to disk]

View 1JR0 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 1JR0

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Structure-derived information

Conformational Epitope Prediction for 1JR0 1JR0D 1JR0E 1JR0F 1JR0G 1JR0H 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 1JR0, from MSDmotif at EBI Classification of representative domains in scop (Structural Classification of Proteins)     - Domain d1jr0d_, region D [Jmol] [rasmolscript] [script source]     - Domain d1jr0e_, region E [Jmol] [rasmolscript] [script source]     - Domain d1jr0f_, region F [Jmol] [rasmolscript] [script source]     - Domain d1jr0g_, region G [Jmol] [rasmolscript] [script source]     - Domain d1jr0h_, region H [Jmol] [rasmolscript] [script source] Fold representative 1jr0 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: [1jr0_G] [1jr0_H] [1jr0_F] [1jr0_E] [1jr0_D]

Other resources with information on 1JR0

InterPro: IPR001835 PDBREPORT (protein verification by WHAT_CHECK procedures) MMDB (Entrez's Structure Database)

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