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- PDB-1y49: Solution Structure of CCAP (Crustacean Cardioactive Peptide) from... -

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Basic information

Entry
Database: PDB / ID: 1y49
TitleSolution Structure of CCAP (Crustacean Cardioactive Peptide) from Drosophila melanogaster
ComponentsCardioactive peptide
KeywordsNEUROPEPTIDE / disulfide bond
Function / homologyCrustacean cardioactive peptide / Arthropod cardioacceleratory peptide 2a / neuropeptide receptor binding / neuropeptide signaling pathway / positive regulation of heart rate / hormone activity / extracellular space / Cardioactive peptide
Function and homology information
MethodSOLUTION NMR / torsion angle dynamics
AuthorsNagata, K. / Tanokura, M.
CitationJournal: to be published
Title: Solution Structure of CCAP (Crustacean Cardioactive Peptide) from Drosophila melanogaster
Authors: Nagata, K. / Tanokura, M.
History
DepositionNov 30, 2004Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Nov 30, 2005Provider: repository / Type: Initial release
Revision 1.1Oct 21, 2007Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 2, 2022Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_software ...database_2 / pdbx_nmr_software / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name
Revision 1.4Nov 13, 2024Group: Data collection / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Cardioactive peptide


Theoretical massNumber of molelcules
Total (without water)9591
Polymers9591
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)10 / 100target function
RepresentativeModel #5closest to the average

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Components

#1: Protein/peptide Cardioactive peptide / CCAP / Crustacean cardioactive peptide / Cardioacceleratory peptide 2a


Mass: 959.099 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: This sequence occurs naturally in fruit flies. / References: UniProt: Q9VCW0
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111DQF-COSY
1212D TOCSY
1312D NOESY
NMR detailsText: This structure was determined using standard 2D homonuclear techniques.

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Sample preparation

DetailsContents: 2mM CCAP / Solvent system: 50%(v/v) DMSO-d6, 50%(v/v) H2O
Sample conditionspH: 6 / Pressure: ambient / Temperature: 298 K

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NMR measurement

RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelengthRelative weight: 1
NMR spectrometerType: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 500 MHz

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Processing

NMR software
NameVersionDeveloperClassification
VNMR6.1Variancollection
NMRPipe2003Delaglio, F.processing
NMRDraw2003Delaglio, F.processing
Sparky3.111Goddard, T. D. and Kneller, D. G.data analysis
DYANA1.4Guentert, P.structure solution
DYANA1.4Guentert, P.refinement
RefinementMethod: torsion angle dynamics / Software ordinal: 1
Details: The structures are based on a total of 81 restraints, 75 are NOE-derived upper-bound distance restraints and 6 are upper- and lower-bound distance restraints from a disulfide bond.
NMR representativeSelection criteria: closest to the average
NMR ensembleConformer selection criteria: target function / Conformers calculated total number: 100 / Conformers submitted total number: 10

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