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Yorodumi- PDB-1kc4: NMR Structural Analysis of the Complex Formed Between alpha-Bunga... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1kc4 | ||||||
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Title | NMR Structural Analysis of the Complex Formed Between alpha-Bungarotoxin and the Principal alpha-Neurotoxin Binding Sequence on the alpha7 Subunit of a Neuronal Nicotinic Acetylcholine Receptor | ||||||
Components |
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Keywords | TOXIN / alpha-bungarotoxin / nicotinic acetylcholine receptor alpha 7 subunit / alpha-neurotoxin / ligand-gated ion channels / protein-protein interactions / protein-peptide complex | ||||||
Function / homology | Function and homology information acetylcholine-gated channel complex / acetylcholine receptor inhibitor activity / ion channel regulator activity / acetylcholine receptor activity / acetylcholine binding / chloride channel regulator activity / acetylcholine-gated monoatomic cation-selective channel activity / negative regulation of tumor necrosis factor production / toxic substance binding / response to nicotine ...acetylcholine-gated channel complex / acetylcholine receptor inhibitor activity / ion channel regulator activity / acetylcholine receptor activity / acetylcholine binding / chloride channel regulator activity / acetylcholine-gated monoatomic cation-selective channel activity / negative regulation of tumor necrosis factor production / toxic substance binding / response to nicotine / cognition / intracellular calcium ion homeostasis / positive regulation of angiogenesis / calcium ion transport / amyloid-beta binding / toxin activity / postsynaptic membrane / perikaryon / positive regulation of MAPK cascade / response to hypoxia / neuron projection / axon / synapse / dendrite / positive regulation of cell population proliferation / signal transduction / protein homodimerization activity / extracellular region / plasma membrane / cytoplasm Similarity search - Function | ||||||
Biological species | Gallus gallus (chicken) Bungarus multicinctus (many-banded krait) | ||||||
Method | SOLUTION NMR / distance geometry dynamical simulated annealing | ||||||
Authors | Moise, L. / Piserchio, A. / Basus, V.J. / Hawrot, E. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2002 Title: NMR structural analysis of alpha-bungarotoxin and its complex with the principal alpha-neurotoxin-binding sequence on the alpha 7 subunit of a neuronal nicotinic acetylcholine receptor. Authors: Moise, L. / Piserchio, A. / Basus, V.J. / Hawrot, E. #1: Journal: J.Biol.Chem. / Year: 1999 Title: Chimeric analysis of a neuronal nicotinic acetylcholine receptor reveals amino acids conferring sensitivity to alpha-bungarotoxin. Authors: Levandoski, M.M. / Lin, Y. / Moise, L. / McLaughlin, J.T. / Cooper, E. / Hawrot, E. #2: Journal: J.Biol.Chem. / Year: 1991 Title: Identification of sequence segments forming the alpha-bungarotoxin binding sites on two nicotinic acetylcholine receptor alpha subunits from the avian brain. Authors: McLane, K.E. / Wu, X.D. / Schoepfer, R. / Lindstrom, J.M. / Conti-Tronconi, B.M. #3: Journal: Biochemistry / Year: 1988 Title: Structural studies of alpha-bungarotoxin. 1. Sequence-specific 1H NMR resonance assignments. Authors: Basus, V.J. / Billeter, M. / Love, R.A. / Stroud, R.M. / Kuntz, I.D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1kc4.cif.gz | 310.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1kc4.ent.gz | 269.5 KB | Display | PDB format |
PDBx/mmJSON format | 1kc4.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1kc4_validation.pdf.gz | 355.5 KB | Display | wwPDB validaton report |
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Full document | 1kc4_full_validation.pdf.gz | 534.1 KB | Display | |
Data in XML | 1kc4_validation.xml.gz | 29.7 KB | Display | |
Data in CIF | 1kc4_validation.cif.gz | 41.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/kc/1kc4 ftp://data.pdbj.org/pub/pdb/validation_reports/kc/1kc4 | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein | Mass: 8005.281 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bungarus multicinctus (many-banded krait) / References: UniProt: P60615 |
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#2: Protein/peptide | Mass: 2348.629 Da / Num. of mol.: 1 / Fragment: alpha-neurotoxin binding site Source method: isolated from a genetically manipulated source Source: (gene. exp.) Gallus gallus (chicken) / Plasmid: pET31b(+) / Production host: Escherichia coli (E. coli) / Strain (production host): BLR(DE3)pLysS / References: UniProt: P22770 |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||
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NMR experiment |
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NMR details | Text: THE WELL-DEFINED REGIONS IN THE COMPLEX, EXHIBITING EXTENSIVE LONG RANGE NOES, ARE: BGTX: 1-16, 22-28, 39-48, AND 54-68 ALPHA 7 19MER: 185-194 |
-Sample preparation
Details |
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Sample conditions | pH: 5.5 / Pressure: ambient / Temperature: 308 K | |||||||||
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
NMR software |
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Refinement | Method: distance geometry dynamical simulated annealing / Software ordinal: 1 Details: RMS DEVIATIONS FROM IDEAL VALUES: BOND LENGTH(A) 0.0039, ANGLES(DEG) 0.61, IMPROPERS(DEG) 0.53 | ||||||||||||||||||||
NMR representative | Selection criteria: determined by nmrclust 1.2 | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: The submitted conformer models are the 10 with the lowest energy from a pool of over 100 accepted structures that had no restraint violations. Conformers submitted total number: 10 |