BMRB Entry 30165
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30165
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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
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 238 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, chain 1 | 1 |
| 2 | entity_2, chain 1 | 2 |
| 3 | entity_1, chain 2 | 1 |
| 4 | entity_2, chain 2 | 2 |
Entities:
Entity 1, entity_1, chain 1 12 residues - 1290.427 Da.
| 1 | GLY | GLY | ALA | GLY | HIS | VAL | PRO | GLU | TYR | PHE | ||||
| 2 | VAL | ARG |
Entity 2, entity_2, chain 1 9 residues - 990.154 Da.
| 1 | CYS | GLY | THR | PRO | ILE | SER | PHE | TYR | CYS |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_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