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- PDB-2la0: Trn- peptide of the two-component bacteriocin Thuricin CD -

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Basic information

Entry
Database: PDB / ID: 2la0
TitleTrn- peptide of the two-component bacteriocin Thuricin CD
ComponentsUncharacterized protein
KeywordsANTIMICROBIAL PROTEIN / thioether bridges / helical loops / crosslinked / post-translationally modified
Function / homologyUncharacterized protein
Function and homology information
Biological speciesBacillus cereus 95/8201 (bacteria)
MethodSOLUTION NMR / torsion angle dynamics
Model detailslowest energy, model 1
AuthorsSit, C.S. / Mckay, R.T. / Hill, C. / Ross, R.P. / Vederas, J.C.
CitationJournal: J.Am.Chem.Soc. / Year: 2011
Title: The 3D structure of thuricin CD, a two-component bacteriocin with cysteine sulfur to alpha-carbon cross-links.
Authors: Sit, C.S. / McKay, R.T. / Hill, C. / Ross, R.P. / Vederas, J.C.
History
DepositionFeb 27, 2011Deposition site: BMRB / Processing site: RCSB
Revision 1.0Jan 11, 2012Provider: repository / Type: Initial release
Revision 1.1Aug 22, 2018Group: Data collection / Database references / Category: struct_ref_seq_dif / Item: _struct_ref_seq_dif.details

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Uncharacterized protein


Theoretical massNumber of molelcules
Total (without water)2,8681
Polymers2,8681
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 20all calculated structures submitted
RepresentativeModel #1lowest energy

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Components

#1: Protein/peptide Uncharacterized protein


Mass: 2868.268 Da / Num. of mol.: 1 / Fragment: sequence database residues 20-49 / Source method: isolated from a natural source / Source: (natural) Bacillus cereus 95/8201 (bacteria) / Strain: DPC 6431 / References: UniProt: C2TQ79

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D 1H-15N HSQC
1212D 1H-13C HSQC
1312D 1H-13C HSQC aliphatic
1413D HNHA
1513D CBCA(CO)NH
1613D (H)CCH-TOCSY
1713D HNCO
1813D HN(CA)CB
1913D 1H-13C NOESY
11013D 1H-15N NOESY
11113D 1H-15N TOCSY

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Sample preparation

DetailsContents: 0.5 mM [U-99% 13C; U-99% 15N] Trnb, 100 uM DSS, CD3OH
Solvent system: CD3OH
Sample
Conc. (mg/ml)ComponentIsotopic labelingSolution-ID
0.5 mMTrnb-1[U-99% 13C; U-99% 15N]1
100 uMDSS-21
Sample conditionsIonic strength: 0 / pH: 7 / Pressure: ambient / Temperature: 298 K

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NMR measurement

NMR spectrometerType: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz

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Processing

NMR software
NameVersionDeveloperClassification
CYANA2.1Guntert, Mumenthaler and Wuthrichstructure solution
CYANA2.1Guntert, Mumenthaler and Wuthrichrefinement
RefinementMethod: torsion angle dynamics / Software ordinal: 1
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: all calculated structures submitted
Conformers calculated total number: 20 / Conformers submitted total number: 20

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