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- PDB-1jlp: Solution Structure of the Noncompetitive Skeletal Muscle Nicotini... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1jlp | ||||||
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Title | Solution Structure of the Noncompetitive Skeletal Muscle Nicotinic Acetylcholine Receptor Antagonist Psi-conotoxin PIIIF | ||||||
![]() | PSI-CONOTOXIN PIIIF | ||||||
![]() | TOXIN / MULTIPLE DISULFIDE BONDS / AMIDATED C-TERMINUS | ||||||
Function / homology | host cell postsynaptic membrane / toxin activity / extracellular region / Psi-conotoxin PIIIF![]() | ||||||
Method | SOLUTION NMR / distance geometry molecular dynamics relaxation matrix distance geometry simulated annealing | ||||||
![]() | Van Wagoner, R.M. / Ireland, C.M. | ||||||
![]() | ![]() Title: Characterization and Three-Dimensional Structure Determination of psi-Conotoxin Piiif, a Novel Noncompetitive Antagonist of Nicotinic Acetylcholine Receptors Authors: Van Wagoner, R.M. / Ireland, C.M. #1: ![]() Title: Three-dimensional Solution Structure of Conotoxin psi-PIIIE, an Acetylcholine Gated Ion Channel Antagonist Authors: Mitchell, S.S. / Shon, K.J. / Foster, M.P. / Davis, D.R. / Olivera, B.M. / Ireland, C.M. #2: ![]() Title: A Noncompetitive Peptide Inhibitor of the Nicotinic Acetylcholine Receptor from Conus purpurascens Venom Authors: Shon, K.J. / Grilley, M. / Jacobsen, R. / Cartier, G.E. / Hopkins, C. / Gray, W.R. / Watkins, M. / Hillyard, D.R. / Rivier, J. / Torres, J. / Yoshikami, D. / Olivera, B.M. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 106.2 KB | Display | ![]() |
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PDB format | ![]() | 86.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 361 KB | Display | ![]() |
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Full document | ![]() | 448.4 KB | Display | |
Data in XML | ![]() | 8.6 KB | Display | |
Data in CIF | ![]() | 13.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein/peptide | Mass: 2674.157 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: Solid phase chemical synthesis was used. One sample contained only natural isotopic abundance residues. Another peptide incorporated 3-13C-labeled cysteine at position 4. The third peptide ...Details: Solid phase chemical synthesis was used. One sample contained only natural isotopic abundance residues. Another peptide incorporated 3-13C-labeled cysteine at position 4. The third peptide incorporated 3-13C-labeled cysteine at positions 5, 10, 16, 21, and 22. The sequence for all peptides is the same as the native peptide FROM CONUS PURPURASCENS (PURPLE CONE). References: UniProt: P60245 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||
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NMR experiment |
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NMR details | Text: This structure was determined using isotopic filtration and isotope-selected 1H observation in addition to standard homonuclear techniques. |
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Sample preparation
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Sample conditions |
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Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M | |||||||||||||||
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Radiation wavelength | Relative weight: 1 | |||||||||||||||
NMR spectrometer |
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Processing
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Refinement | Method: distance geometry molecular dynamics relaxation matrix distance geometry simulated annealing Software ordinal: 1 Details: These structures are based on 380 NOE-derived distance restraints, 7 restraints on phi derived from J-coupling, and 7 restraints on chi1 determined from J-coupling and NOE volumes. | ||||||||||||||||||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: back calculated data agree with experimental NOESY spectrum, structures with the least restraint violations, structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 17 |