BMRB Entry 36167
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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/BMR36167
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Title: Solution NMR structure of a new lasso peptide brevunsin PubMed: 30191430
Deposition date: 2018-02-19 Original release date: 2018-10-15
Authors: Hemmi, H.; Kodani, S.; Miyake, Y.; Kaweewan, I.; Nakagawa, H.
Citation: Kodani, S.; Hemmi, H.; Miyake, Y.; Kaweewan, I.; Nakagawa, H.. "Heterologous production of a new lasso peptide brevunsin in Sphingomonas subterranea." J. Ind. Microbiol. Biotechnol. 45, 983-992 (2018).
Assembly members:
entity_1, polymer, 21 residues, 2253.466 Da.
Natural source: Common Name: Brevundimonas diminuta Taxonomy ID: 293 Superkingdom: Bacteria Kingdom: not available Genus/species: Brevundimonas diminuta
Experimental source: Production method: recombinant technology Host organism: Novosphingobium subterraneum
Entity Sequences (FASTA):
entity_1: DGMGEEFIEGLVRDSLYPPA
G
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 49 |
| 1H chemical shifts | 130 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 21 residues - 2253.466 Da.
| 1 | ASP | GLY | MET | GLY | GLU | GLU | PHE | ILE | GLU | GLY | ||||
| 2 | LEU | VAL | ARG | ASP | SER | LEU | TYR | PRO | PRO | ALA | ||||
| 3 | GLY |
Samples:
sample_1: brevunsin 6 mg/mL; DMSO-d6, [U-2H], 100%
sample_conditions_1: pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMBC | 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 DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
| 1D 13C | sample_1 | isotropic | sample_conditions_1 |
| DEPT135 | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation
SPARKY, Goddard - chemical shift assignment, peak picking
TOPSPIN, Bruker Biospin - collection
TOPSPIN v3.5, Bruker Biospin - processing
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker AvanceIII 800 MHz