BMRB Entry 30714

Name: Solution NMR structure of Prochlorosin 2.1 produced by Prochlorococcus MIT 9313
Published: 2020-07-05

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PDB ID: 6vjq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30714
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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 structure of Prochlorosin 2.1 produced by Prochlorococcus MIT 9313

Deposition date:

2020-01-16

Original release date:

2020-07-05

Authors:

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

Citation:

Citation: Li, B.; Sher, D.; Kelly, L.; Shi, Y.; Huang, K.; Knerr, P.; Joewono, I.; Rusch, D.; Chisholm, S.; van der Donk, W.. "Catalytic promiscuity in the biosynthesis of cyclic peptide secondary metabolites in planktonic marine cyanobacteria." Proc. Natl. Acad. Sci. U.S.A. 107, 10430-10435 (2010).

Assembly members:

Assembly members:
entity_1, polymer, 28 residues, 2762.152 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: CCIXGESPGXAPXNDYKCXK GRGPGGCY

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	142

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 28 residues - 2762.152 Da.

1

CYS

ILE

DBB

GLY

GLU

SER

PRO

GLY

DAL

2

ALA

PRO

DBB

ASN

ASP

TYR

LYS

CYS

DBB

LYS

3

GLY

ARG

GLY

PRO

GLY

CYS

TYR

Samples:

sample_1: Prochlorosin 2.1 2 ± 0.3 mM

sample_2: Prochlorosin 2.1 3 ± 0.3 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:

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