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- PDB-2jmy: Solution structure of CM15 in DPC micelles -

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Basic information

Entry
Database: PDB / ID: 2jmy
TitleSolution structure of CM15 in DPC micelles
ComponentsCM15
KeywordsANTIMICROBIAL PROTEIN / antimicrobial / DPC micelle
Biological speciessynthetic construct (others)
MethodSOLUTION NMR / simulated annealing
AuthorsRespondek, M. / Madl, T. / Goebl, C. / Golser, R. / Zangger, K.
CitationJournal: J.Am.Chem.Soc. / Year: 2007
Title: Mapping the orientation of helices in micelle-bound peptides by paramagnetic relaxation waves
Authors: Respondek, M. / Madl, T. / Gobl, C. / Golser, R. / Zangger, K.
History
DepositionDec 13, 2006Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 17, 2007Provider: repository / Type: Initial release
Revision 1.1May 1, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 5, 2020Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Experimental preparation / Other / Source and taxonomy
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_entity_src_syn / pdbx_nmr_sample_details / pdbx_nmr_spectrometer / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _pdbx_database_status.status_code_cs / _pdbx_entity_src_syn.ncbi_taxonomy_id ..._pdbx_database_status.status_code_cs / _pdbx_entity_src_syn.ncbi_taxonomy_id / _pdbx_entity_src_syn.organism_scientific / _pdbx_nmr_sample_details.contents / _pdbx_nmr_spectrometer.model
Revision 1.4Jun 14, 2023Group: Advisory / Database references / Other
Category: database_2 / pdbx_database_remark / pdbx_database_status
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_remark.text / _pdbx_database_status.status_code_nmr_data
Revision 1.5Dec 20, 2023Group: Data collection / Other
Category: chem_comp_atom / chem_comp_bond / pdbx_database_status
Item: _pdbx_database_status.deposit_site
Revision 1.6May 8, 2024Group: Database references / Category: database_2 / Item: _database_2.pdbx_DOI
Remark 999SEQUENCE THERE IS NO DATABASE REFERENCE FOR THIS SEQUENCE.

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: CM15


Theoretical massNumber of molelcules
Total (without water)1,7761
Polymers1,7761
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)19 / 50structures with acceptable covalent geometry
RepresentativeModel #1closest to the average

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Components

#1: Protein/peptide CM15


Mass: 1776.320 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: designed hybrid peptide; no natural source / Source: (synth.) synthetic construct (others)

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D 1H-1H TOCSY
1212D 1H-1H NOESY
1312D 1H-13C HSQC

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Sample preparation

DetailsContents: 1.7 mM CM15, 90% H2O/10% D2O / Solvent system: 90% H2O/10% D2O
SampleConc.: 1.7 mM / Component: CM15
Sample conditionsIonic strength: 0.15 / pH: 5.0 / Pressure: ambient / Temperature: 305 K

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NMR measurement

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

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Processing

NMR software
NameVersionDeveloperClassification
CNS1.1Brunger, Adams, Clore, Gros, Nilges and Readstructure solution
CNS1.1Brunger, Adams, Clore, Gros, Nilges and Readrefinement
RefinementMethod: simulated annealing / Software ordinal: 1
NMR representativeSelection criteria: closest to the average
NMR ensembleConformer selection criteria: structures with acceptable covalent geometry
Conformers calculated total number: 50 / Conformers submitted total number: 19

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