BMRB Entry 30712

Name: Solution NMR of Prochlorosin 1.1 produced by Prochlorococcus MIT 9313
Published: 2020-07-05

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PDB ID: 6vhj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30712
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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:

Solution NMR of Prochlorosin 1.1 produced by Prochlorococcus MIT 9313

Deposition date:

2020-01-09

Original release date:

2020-07-05

Authors:

Bobeica, S.; van der Donk, W.; Tang, W.

Citation:

Citation: Tang, W.; van der Donk, W.. "Structural characterization of four prochlorosins: a novel class of lantipeptides produced by planktonic marine cyanobacteria." Biochemistry 51, 4271-4279 (2012).
PubMed: 22574919

Assembly members:

Assembly members:
entity_1, polymer, 16 residues, 1789.109 Da.

Natural source:

Natural source: Common Name: Prochlorococcus marinus Taxonomy ID: 74547 Superkingdom: Bacteria Kingdom: not available Genus/species: Prochlorococcus marinus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FFCVQGXANRFXINVC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	89

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 16 residues - 1789.109 Da.

1

PHE

CYS

VAL

GLN

GLY

DBB

ALA

ASN

ARG

2

PHE

DBB

ILE

ASN

VAL

CYS

Samples:

sample_1: Prochlorosin 1.1 2 ± 0.2 mM

sample_2: Prochlorosin 1.1 2 ± 0.2 mM

sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 296 K

sample_conditions_2: pH: 6; pressure: 1 atm; temperature: 296 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_2

Software:

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

Sparky, Goddard - chemical shift assignment, peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

Varian INOVA 600 MHz