BMRB Entry 36083
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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/BMR36083
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Title: Solution NMR structure of a new lasso peptide subterisin
Deposition date: 2017-05-12 Original release date: 2018-04-30
Authors: Hemmi, H.; Kodani, S.; Kuroha, M.; Ohnishi-Kameyama, M.
Citation: Kuroha, M.; Hemmi, H.; Ohnishi-Kameyama, M.; Kodani, S.. "Isolation and structure determination of a new lasso peptide subterisin from Sphingomonas subterranea" Tetrahedron Lett. 58, 3429-3432 (2017).
Assembly members:
uncharacterized protein subterisin, polymer, 17 residues, 1723.947 Da.
Natural source: Common Name: Novosphingobium subterraneum Taxonomy ID: 48936 Superkingdom: Bacteria Kingdom: not available Genus/species: Novosphingobium subterraneum
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
uncharacterized protein subterisin: GPPGDRIEFGVLAQLPG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 57 |
| 1H chemical shifts | 116 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 17 residues - 1723.947 Da.
| 1 | GLY | PRO | PRO | GLY | ASP | ARG | ILE | GLU | PHE | GLY | ||||
| 2 | VAL | LEU | ALA | GLN | LEU | PRO | GLY |
Samples:
sample_1: subterisin 16 mg/mL; DMSO-d6, [U-2H], 100%
sample_conditions_1: ionic strength: 0 Not defined; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMBC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation
SPARKY, Goddard - chemical shift assignment, data analysis, peak picking
TOPSPIN, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker AvanceIII 800 MHz