BMRB Entry 30994

Name: Iturin from Bacillus subtilis ATCC 19659
Published: 2023-02-21

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PDB ID: 7tz3
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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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

Citation: Silva, B.; de Magalhaes, M.; Rodrigues, J.. "Iturin from Bacillus subtilis ATCC 19659" .

Assembly members:

Assembly members:
entity_1, polymer, 8 residues, 1103.269 Da.

Natural source:

Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Bacillus subtilis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: NXXQPXSX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	17
15N chemical shifts	9
1H chemical shifts	48

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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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 peaks
SPARKY: Backbone or all simulated peaks