BMRB Entry 36017
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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/BMR36017
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Title: Solution NMR structure of a new lasso peptide sphaericin
Deposition date: 2016-09-06 Original release date: 2017-06-12
Authors: Hemmi, H.; Kodani, S.; Inoue, Y.; Suzuki, M.; Dohra, H.; Suzuki, T.; Ohnishi-Kameyama, M.
Citation: Kodani, S.; Inoue, Y.; Suzuki, M.; Dohra, H.; Suzuki, T.; Hemmi, H.; Ohnishi-Kameyama, M.. "Sphaericin, a Lasso Peptide from the Rare Actinomycete Planomonospora sphaerica" Eur. J. Org. Chem. 2017, 1177-1183 (2017).
Assembly members:
entity_1, polymer, 18 residues, 2175.509 Da.
Natural source: Common Name: Planomonospora sphaerica Taxonomy ID: 161355 Superkingdom: Bacteria Kingdom: not available Genus/species: Planomonospora sphaerica
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GLPIGWWIERPSGWYFPI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 89 |
| 1H chemical shifts | 142 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 18 residues - 2175.509 Da.
| 1 | GLY | LEU | PRO | ILE | GLY | TRP | TRP | ILE | GLU | ARG | ||||
| 2 | PRO | SER | GLY | TRP | TYR | PHE | PRO | ILE |
Samples:
sample_1: peptide, NA-C,H, 10 mg/mL; DMSO-d6 100%
sample_conditions_1: 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-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMBC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
SPARKY, Goddard - chemical shift assignment, peak picking
TOPSPIN, Bruker Biospin - processing
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker AvanceIII 800 MHz