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- PDB-5miz: MD ensemble of bovine insulin -

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Basic information

Entry
Database: PDB / ID: 5miz
TitleMD ensemble of bovine insulin
Components(Insulin) x 2
KeywordsHORMONE / peptide hormone / acidic medium
Function / homology
Function and homology information


estradiol secretion / negative regulation of lactation / positive regulation of blood circulation / glucose import in response to insulin stimulus / positive regulation of cell maturation / positive regulation of lactation / response to L-arginine / positive regulation of mammary gland epithelial cell proliferation / negative regulation of appetite / response to butyrate ...estradiol secretion / negative regulation of lactation / positive regulation of blood circulation / glucose import in response to insulin stimulus / positive regulation of cell maturation / positive regulation of lactation / response to L-arginine / positive regulation of mammary gland epithelial cell proliferation / negative regulation of appetite / response to butyrate / feeding behavior / response to growth hormone / response to food / positive regulation of Rho protein signal transduction / positive regulation of peptide hormone secretion / protein secretion / response to glucose / negative regulation of lipid catabolic process / response to nutrient levels / positive regulation of protein secretion / insulin receptor binding / hormone activity / positive regulation of insulin secretion / glucose metabolic process / glucose homeostasis / response to heat / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / positive regulation of gene expression / negative regulation of apoptotic process / extracellular space / identical protein binding
Similarity search - Function
Insulin / Insulin family / Insulin/IGF/Relaxin family / Insulin, conserved site / Insulin family signature. / Insulin-like / Insulin / insulin-like growth factor / relaxin family. / Insulin-like superfamily
Similarity search - Domain/homology
Biological speciesBos taurus (cattle)
MethodSOLUTION NMR
AuthorsEfimov, S.V. / Zgadzay, Y.O. / Klochkov, V.V.
CitationJournal: To Be Published
Title: MD ensemble of bovine insulin
Authors: Efimov, S.V. / Zgadzay, Y.O. / Klochkov, V.V.
History
DepositionNov 29, 2016Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jan 25, 2017Provider: repository / Type: Initial release
Revision 1.1May 8, 2019Group: Data collection / Category: pdbx_nmr_software / Item: _pdbx_nmr_software.name

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Insulin
B: Insulin


Theoretical massNumber of molelcules
Total (without water)5,7442
Polymers5,7442
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_5551
Buried area760 Å2
ΔGint-12 kcal/mol
Surface area4870 Å2
MethodPISA
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)10 / -
Representative

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Components

#1: Protein/peptide Insulin /


Mass: 2339.645 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / Organ: pancreas / References: UniProt: P01317
#2: Protein/peptide Insulin /


Mass: 3403.927 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / Organ: pancreas / References: UniProt: P01317

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDSample stateSpectrometer-IDType
111isotropic12D 1H-1H NOESY
121isotropic12D 1H-1H TOCSY
231isotropic12D 1H-1H TOCSY
141isotropic12D 1H-13C HSQC
251isotropic12D DQF-COSY

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Sample preparation

DetailsType: solution / Contents: 1.1 mM Bovine insulin, 90% H2O/10% D2O / Details: HCl was added to solve the protein / Label: ib / Solvent system: 90% H2O/10% D2O
SampleConc.: 1.1 mM / Component: Bovine insulin / Isotopic labeling: natural abundance
Sample conditions
Conditions-IDIonic strengthLabelpHPressure (kPa)Temperature (K)
11.4 mMib_12.86 1 atm293 K
21.4 mMib_22.86 1 atm308 K

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NMR measurement

NMR spectrometerType: Bruker AvanceIII / Manufacturer: Bruker / Model: AvanceIII / Field strength: 700 MHz / Details: QCI probe

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Processing

NMR software
NameDeveloperClassification
NMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Baxprocessing
SparkyGoddardpeak picking
TopSpinBruker Biospincollection
Xplor-NIHClore, Bermejo, Kuszewski, Schwieters and Tjandrastructure calculation
NMR ensembleConformers submitted total number: 10

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