BMRB Entry 30994
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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/BMR30994
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Title: Iturin from Bacillus subtilis ATCC 19659
Deposition date: 2022-02-15 Original release date: 2023-02-21
Authors: Silva, B.; de Magalhaes, M.; Rodrigues, J.
Citation: Silva, B.; de Magalhaes, M.; Rodrigues, J.. "Iturin from Bacillus subtilis ATCC 19659" .
Assembly members:
entity_1, polymer, 8 residues, 1103.269 Da.
Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis
Experimental source: Production method: recombinant technology Host organism: Bacillus subtilis
Entity Sequences (FASTA):
entity_1: NXXQPXSX
- assigned_chemical_shifts
- spectral_peak_list
Data type | Count |
13C chemical shifts | 17 |
15N chemical shifts | 9 |
1H chemical shifts | 48 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 8 residues - 1103.269 Da.
1 | ASN | DTY | DSG | GLN | PRO | DSG | SER | KV6 |
Samples:
sample_1: Iturin lipopeptide 0.007 mg/uL
sample_conditions_1: ionic strength: 0 Not defined; pH: 7.0; pressure: 1 atm; temperature: 313 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-1H TOCSY | sample_1 | anisotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1 | anisotropic | sample_conditions_1 |
2D 1H-13C HSQC | sample_1 | anisotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_1 | anisotropic | sample_conditions_1 |
2D 1H-1H COSY | sample_1 | anisotropic | sample_conditions_1 |
Software:
CcpNmr Analysis v2.5.2, CCPN - chemical shift assignment, peak picking
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation
TopSpin, Bruker Biospin - data analysis, processing
ARIA, Linge, O'Donoghue and Nilges - structure calculation
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts