+Open data
-Basic information
Entry | Database: PDB / ID: 7ofg | ||||||
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Title | Oxytocin NMR solution structure | ||||||
Components | Oxytocin | ||||||
Keywords | HORMONE / natural peptide / cyclic / disulfide bond | ||||||
Function / homology | Function and homology information positive regulation of hindgut contraction / maternal aggressive behavior / oxytocin receptor binding / neurohypophyseal hormone activity / V1A vasopressin receptor binding / Vasopressin-like receptors / response to prostaglandin E / positive regulation of uterine smooth muscle contraction / positive regulation of penile erection / positive regulation of norepinephrine secretion ...positive regulation of hindgut contraction / maternal aggressive behavior / oxytocin receptor binding / neurohypophyseal hormone activity / V1A vasopressin receptor binding / Vasopressin-like receptors / response to prostaglandin E / positive regulation of uterine smooth muscle contraction / positive regulation of penile erection / positive regulation of norepinephrine secretion / negative regulation of urine volume / sperm ejaculation / drinking behavior / grooming behavior / response to sucrose / positive regulation of prostaglandin secretion / response to ether / positive regulation of blood pressure / neuropeptide hormone activity / maternal behavior / positive regulation of ossification / positive regulation of synapse assembly / positive regulation of female receptivity / response to food / eating behavior / male mating behavior / social behavior / positive regulation of synaptic transmission / response to electrical stimulus / response to retinoic acid / response to glucocorticoid / response to cAMP / negative regulation of blood pressure / response to amphetamine / regulation of heart rate / secretory granule / response to cocaine / response to activity / response to progesterone / female pregnancy / terminal bouton / memory / response to peptide hormone / response to estradiol / positive regulation of cold-induced thermogenesis / heart development / positive regulation of cytosolic calcium ion concentration / G alpha (q) signalling events / signal transduction / extracellular space / extracellular region Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | SOLUTION NMR / DGSA-distance geometry simulated annealing | ||||||
Authors | Shalev, D.E. / Alshanski, I. / Yitzchaik, S. / Hurevich, M. | ||||||
Funding support | Israel, 1items
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Citation | Journal: J.Biol.Inorg.Chem. / Year: 2021 Title: Determining the structure and binding mechanism of oxytocin-Cu 2+ complex using paramagnetic relaxation enhancement NMR analysis. Authors: Alshanski, I. / Shalev, D.E. / Yitzchaik, S. / Hurevich, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7ofg.cif.gz | 39.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7ofg.ent.gz | 25.7 KB | Display | PDB format |
PDBx/mmJSON format | 7ofg.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7ofg_validation.pdf.gz | 425.9 KB | Display | wwPDB validaton report |
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Full document | 7ofg_full_validation.pdf.gz | 523.2 KB | Display | |
Data in XML | 7ofg_validation.xml.gz | 13.3 KB | Display | |
Data in CIF | 7ofg_validation.cif.gz | 15.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/of/7ofg ftp://data.pdbj.org/pub/pdb/validation_reports/of/7ofg | HTTPS FTP |
-Related structure data
Related structure data | 7otdC C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 1008.196 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: Amidated C-terminus, Cys-Cys disulfide bond. / Source: (synth.) Homo sapiens (human) / References: UniProt: P01178 |
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Has protein modification | Y |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Type: solution Contents: 5 mM ammonium acetate, 3.3 mM Oxytocin, 90% H2O/10% D2O Details: 3.3 mM oxytocin in 5 mM fresh ammonium acetate buffer, pH 6.7, in TDW, filtered at 2 micron with 10% deuterium oxide. Label: OT/AA / Solvent system: 90% H2O/10% D2O | ||||||||||||
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Sample |
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Sample conditions | Details: Ammonium acetate buffer was used since it does not complex copper, however the buffer suffered from rapid bacterial growth within a couple of days and we had to prepare fresh samples for each experiment. Ionic strength: 0.00665 M / Label: OT/AA / pH: 6.7 Not defined / PH err: 0.1 / Pressure: 1 atm / Temperature: 297.3 K / Temperature err: 0.1 |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE II / Manufacturer: Bruker / Model: AVANCE II / Field strength: 500 MHz / Details: XYZ-gradients |
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-Processing
Software | Name: UCSF ChimeraX / Version: 1.1/v9 / Classification: model building / URL: https://www.rbvi.ucsf.edu/chimerax/ / Os: Windows / Type: package | ||||||||||||||||||||||||
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NMR software |
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Refinement | Method: DGSA-distance geometry simulated annealing / Software ordinal: 2 / Details: Based on 59 ROE restraints | ||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 14 |