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- PDB-1plw: NMR structure of Methionine-Enkephalin in fast tumbling DMPC/DHPC... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1plw | ||||||
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Title | NMR structure of Methionine-Enkephalin in fast tumbling DMPC/DHPC bicelles | ||||||
![]() | Met-enkephalin 1 | ||||||
![]() | NEUROPEPTIDE | ||||||
Function / homology | ![]() synaptic vesicle lumen / neuronal dense core vesicle lumen / chromaffin granule lumen / opioid receptor binding / opioid peptide activity / synaptic signaling via neuropeptide / general adaptation syndrome, behavioral process / aggressive behavior / positive regulation of behavioral fear response / symmetric synapse ...synaptic vesicle lumen / neuronal dense core vesicle lumen / chromaffin granule lumen / opioid receptor binding / opioid peptide activity / synaptic signaling via neuropeptide / general adaptation syndrome, behavioral process / aggressive behavior / positive regulation of behavioral fear response / symmetric synapse / G protein-coupled opioid receptor signaling pathway / response to epinephrine / cell body fiber / sensory perception / cellular response to vitamin D / neuropeptide hormone activity / startle response / transmission of nerve impulse / locomotory exploration behavior / response to immobilization stress / behavioral fear response / neuropeptide signaling pathway / glial cell proliferation / axon terminus / cellular response to cAMP / sensory perception of pain / cellular response to transforming growth factor beta stimulus / Peptide ligand-binding receptors / Post-translational protein phosphorylation / response to nicotine / response to toxic substance / cellular response to virus / response to calcium ion / osteoblast differentiation / Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) / response to estradiol / cellular response to oxidative stress / G alpha (i) signalling events / chemical synaptic transmission / perikaryon / response to ethanol / response to lipopolysaccharide / response to hypoxia / endoplasmic reticulum lumen / neuronal cell body / dendrite / signal transduction / extracellular region / plasma membrane Similarity search - Function | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
![]() | Marcotte, I. / Separovic, F. / Auger, M. / Gagne, S.M. | ||||||
![]() | ![]() Title: A multidimensional (1)h NMR investigation of the conformation of methionine-enkephalin in fast-tumbling bicelles. Authors: Marcotte, I. / Separovic, F. / Auger, M. / Gagne, S.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 93.7 KB | Display | ![]() |
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PDB format | ![]() | 67.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 325.2 KB | Display | ![]() |
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Full document | ![]() | 588.7 KB | Display | |
Data in XML | ![]() | 6.6 KB | Display | |
Data in CIF | ![]() | 11.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1plxC C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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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: 573.662 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: THE PEPETIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HOMO SAPIENS (HUMAN) References: UniProt: P01210 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||
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NMR experiment |
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NMR details | Text: PFG experiments were also performed on the sample |
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Sample preparation
Details | Contents: 5.4uM Menk; DMPC/DHPC: 0.5:1 (molar ratio); Lipid/peptide: 25:1 (molar ratio); 10% w/v of lipids in water; 90%H2O, 10%D2O Solvent system: 90% H2O/10% D2O |
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Sample conditions | Ionic strength: 9mM / pH: 4.5 / Pressure: ambient / Temperature: 295 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 | Type: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 Details: The structures are based on a total of 2 phi angle and 57 NOE-derived distance constraints. 1000 high-temperature steps were used (15 ps) up to a final temperature of 50000 K then 1000 ...Details: The structures are based on a total of 2 phi angle and 57 NOE-derived distance constraints. 1000 high-temperature steps were used (15 ps) up to a final temperature of 50000 K then 1000 cooling steps (250 K, 15 ps) were applied. Finally, 10 cycles of 200 minimization steps were performed. A repel constant value of 0.8 was used | ||||||||||||||||||||||||
NMR representative | Selection criteria: 1 to 4, closest to the average of each of the four conformers | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 80 |