BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30165

Title: [3]catenane from MccJ25 G12R/I13C/G21C lasso peptide   PubMed: 27768305

Deposition date: 2016-08-30 Original release date: 2016-11-28

Authors: Link, A.; Allen, C.

Citation: Link, A.; Allen, C.. "Self-assembly of catenanes from lasso peptides"  J. Am. Chem. Soc. 138, 14214-14217 (2016).

Assembly members:
Microcin J25, polymer, 12 residues, 1290.427 Da.
Microcin J25, polymer, 9 residues, 990.154 Da.

Natural source:   Common Name: enterobacteria   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
Microcin J25: GGAGHVPEYFVR
Microcin J25: CGTPISFYC

Data sets:
Data typeCount
1H chemical shifts238

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_1, chain 11
2entity_2, chain 12
3entity_1, chain 21
4entity_2, chain 22

Entities:

Entity 1, entity_1, chain 1 12 residues - 1290.427 Da.

1   GLYGLYALAGLYHISVALPROGLUTYRPHE
2   VALARG

Entity 2, entity_2, chain 1 9 residues - 990.154 Da.

1   CYSGLYTHRPROILESERPHETYRCYS

Samples:

sample_1: [3]catenane from MccJ25 RCC lasso peptide 3.7 mg/mL; H2O 95%; D2O 5%

sample_conditions_1: pressure: 1 atm; temperature: 295 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYsample_1isotropicsample_conditions_1
2D TOCSYsample_1isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

GROMACS v5.1.1, Abraham, Hess, van der Spoel, Lindahl - refinement

MestReNova v9.0.1, Mestrelab Research S.L. - data analysis

NMR spectrometers:

  • Bruker AvanceIII 800 MHz