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- PDB-1chq: SURPRISING LEADS FOR A CHOLERA TOXIN RECEPTOR BINDING ANTAGONIST;... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1chq | ||||||
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Title | SURPRISING LEADS FOR A CHOLERA TOXIN RECEPTOR BINDING ANTAGONIST; CRYSTALLOGRAPHIC STUDIES OF CTB MUTANTS | ||||||
![]() | CHOLERA TOXIN B PENTAMER | ||||||
![]() | TOXIN | ||||||
Function / homology | ![]() host cell surface binding / galactose binding / catalytic complex / positive regulation of tyrosine phosphorylation of STAT protein / toxin activity / periplasmic space / host cell plasma membrane / extracellular region / membrane Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Merritt, E.A. / Hol, W.G.J. | ||||||
![]() | ![]() Title: Surprising leads for a cholera toxin receptor-binding antagonist: crystallographic studies of CTB mutants. Authors: Merritt, E.A. / Sarfaty, S. / Chang, T.T. / Palmer, L.M. / Jobling, M.G. / Holmes, R.K. / Hol, W.G. #1: ![]() Title: 2.2 Angstroms Crystal Structure of Cholera Toxin B5 Pentamer Bound to Receptor GM1 Pentasaccharide Authors: Merritt, E.A. / Sarfaty, S. / Van Den Akker, F. / L'Hoir, C. / Martial, J.A. / Hol, W.G.J. #2: ![]() Title: Analysis of Structure and Function of the B Subunit of Cholera Toxin by the Use of Site-Directed Mutagenesis Authors: Jobling, M.G. / Holmes, R.K. | ||||||
History |
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Remark 700 | SHEET IN THE PENTAMER THE BETA SHEETS FROM ADJACENT MONOMERS COMBINE TO FORM A CONTINUOUS SIX- ...SHEET IN THE PENTAMER THE BETA SHEETS FROM ADJACENT MONOMERS COMBINE TO FORM A CONTINUOUS SIX-STRANDED ANTI-PARALLEL SHEET ACROSS EACH MONOMER-MONOMER INTERFACE. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 105.9 KB | Display | ![]() |
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PDB format | ![]() | 88.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 449.1 KB | Display | ![]() |
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Full document | ![]() | 464.5 KB | Display | |
Data in XML | ![]() | 22.2 KB | Display | |
Data in CIF | ![]() | 30.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Atom site foot note | 1: CIS PROLINE - PRO D 93 / 2: CIS PROLINE - PRO E 93 / 3: CIS PROLINE - PRO F 93 / 4: CIS PROLINE - PRO G 93 / 5: CIS PROLINE - PRO H 93 | ||||||||
Details | CHOLERA TOXIN IS AN AB5 HEXAMER. THE B-PENTAMER OF CHOLERA TOXIN IS RESPONSIBLE FOR RECEPTOR RECOGNITION AND BINDING. |
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Components
#1: Protein | Mass: 11581.161 Da / Num. of mol.: 5 / Mutation: R35D Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Water | ChemComp-HOH / | Compound details | THE FIVE IDENTICAL B SUBUNITS ARE LABELLED AS CHAINS D, E, F, G, AND H CORRESPONDING TO CHAIN ...THE FIVE IDENTICAL B SUBUNITS ARE LABELLED AS CHAINS D, E, F, G, AND H CORRESPOND | Nonpolymer details | SOLVENT SITE 60 IS ALMOST CERTAINLY A CHLORIDE ION, AS ESTABLISHED FOR THE ISOMORPHOUS G33D MUTANT ...SOLVENT SITE 60 IS ALMOST CERTAINLY A CHLORIDE ION, AS ESTABLISHE | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.2 Å3/Da / Density % sol: 44.19 % | ||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 6.4 / Details: pH 6.4 | ||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, sitting drop | ||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction source | Wavelength: 1.54 |
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Detector | Type: SIEMENS X1000 / Detector: AREA DETECTOR / Date: Nov 1, 1994 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Num. obs: 28288 / % possible obs: 96 % / Observed criterion σ(I): 0 / Redundancy: 2.02 % / Rmerge(I) obs: 0.053 |
Reflection | *PLUS Highest resolution: 2.1 Å |
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Processing
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Refinement | Resolution: 2.1→12 Å / σ(F): 3
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Displacement parameters | Biso mean: 41.7 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.1→12 Å
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Refine LS restraints |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.208 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |