BMRB Entry 15489

Name: Chemical shift assignments of paenibacillin -- a novel lantibiotic with N-terminal acetylation
Published: 2008-07-29

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15489

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

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

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Chemical shift assignments of paenibacillin -- a novel lantibiotic with N-terminal acetylation

Deposition date:

2007-09-25

Original release date:

2008-07-29

Authors:

He, Zengguo; Yuan, Chunhua; Zhang, Liwen; Yousef, Ahmed

Citation:

Citation: He, Zengguo; Yuan, Chunhua; Zhang, Liwen; Yousef, Ahmed. "N-terminal acetylation in paenibacillin, a novel lantibiotic" FEBS Lett. 582, 2787-2792 (2008).
PubMed: 18625234

Assembly members:

Assembly members:
paenibacillin, polymer, 30 residues, Formula weight is not available

Natural source:

Natural source: Common Name: baker's yeast Taxonomy ID: 4932 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Saccharomyces cerevisiae

Experimental source:

Experimental source: Production method: purified from the natural source Host organism: Saccharomyces cerevisiae

Entity Sequences (FASTA):

Entity Sequences (FASTA):
paenibacillin: XXIIKXXIKVXKAVXKXLXX IXXGXXXNXK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	197
13C chemical shifts	114
15N chemical shifts	30

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	paenibacillin	1

Entities:

Entity 1, paenibacillin 30 residues - Formula weight is not available

1	AYA	DHAX	ILE	ILE	LYS	DHBX	DHBX	ILE	LYS	VAL
2	ALAS	LYS	ALA	VAL	ALAS	LYS	ABUX	LEU	ABUX	ALAS
3	ILE	ALAS	ABUX	GLY	ALAS	ALAS	DHAX	ASN	ALAS	LYS

Samples:

sample_1: paenibacillin 0.67 mM; D2O 100%

sample_2: paenibacillin 2.89 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.1 mM; pH: 4.5; pressure: 1 atm; temperature: 293.9 K

sample_conditions_2: ionic strength: 0.1 mM; pH: 4.5; pressure: 1 atm; temperature: 287.3 K

sample_conditions_3: ionic strength: 0.1 mM; pH: 4.5; pressure: 1 atm; temperature: 301.8 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HMBC	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	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_3
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_2
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_3
2D 1H-13C HSQC-TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC-NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HMBC	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_3
2D DQF-COSY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC-ROESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H ROESY	sample_1	isotropic	sample_conditions_1

Software:

xwinnmr, Bruker Biospin - collection, data analysis

NMR spectrometers:

Bruker DMX 600 MHz
Bruker DRX 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks