BMRB Entry 30718

Name: Solution NMR of Prochlorosin 2.8 produced by Prochlorococcus MIT 9313
Published: 2020-07-05

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PDB ID: 6vlj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30718
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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 2.8 produced by Prochlorococcus MIT 9313

Deposition date:

2020-01-24

Original release date:

2020-07-05

Authors:

Bobeica, S.; Acedo, J.; van der Donk, W.; Zhu, L.

Citation:

Citation: Bobeica, S.; Zhu, L.; Acedo, J.; Tang, W.; van der Donk, W.. "Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways" Chem. Sci. 11, 12854-12870 (2020).
PubMed: 34094481

Assembly members:

Assembly members:
entity_1, polymer, 19 residues, 2057.289 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 Vector: pRSFDuet-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AACHNHAPXMPPXYWEGEC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	41
15N chemical shifts	15
1H chemical shifts	103

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 19 residues - 2057.289 Da.

1

ALA

CYS

HIS

ASN

HIS

ALA

PRO

DAL

MET

2

PRO

DAL

TYR

TRP

GLU

GLY

GLU

CYS

Samples:

sample_1: Prochlorosin 2.8 33 ± 0.3 mM

sample_2: Prochlorosin 2.8 33 ± 0.3 mM

sample_3: Prochlorosin 2.8 33 ± 0.3 mM

sample_conditions_1: pH: 6.0; pressure: 1 atm; temperature: 298 K

sample_conditions_2: pH: 6.0; pressure: 1 atm; temperature: 298 K

sample_conditions_3: pH: 6.0; pressure: 1 atm; temperature: 310 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
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_2
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_3	isotropic	sample_conditions_3
2D 1H-1H NOESY	sample_3	isotropic	sample_conditions_3

Software:

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

Sparky, Goddard - chemical shift assignment, peak picking

X-PLOR NIH v2.51, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

Agilent VNMRS 750 MHz

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