BMRB

Biological Magnetic Resonance Data Bank


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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
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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

Data sets:
Data typeCount
13C chemical shifts17
15N chemical shifts9
1H chemical shifts48

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 8 residues - 1103.269 Da.

1   ASNDTYDSGGLNPRODSGSERKV6

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:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1anisotropicsample_conditions_1
2D 1H-1H NOESYsample_1anisotropicsample_conditions_1
2D 1H-13C HSQCsample_1anisotropicsample_conditions_1
2D 1H-15N HSQCsample_1anisotropicsample_conditions_1
2D 1H-1H COSYsample_1anisotropicsample_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