BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30714

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: 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:
entity_1, polymer, 28 residues, 2762.152 Da.

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

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

Entity Sequences (FASTA):
entity_1: CCIXGESPGXAPXNDYKCXK GRGPGGCY

Data sets:
Data typeCount
1H chemical shifts142

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 28 residues - 2762.152 Da.

1   CYSCYSILEDBBGLYGLUSERPROGLYDAL
2   ALAPRODBBASNASPTYRLYSCYSDBBLYS
3   GLYARGGLYPROGLYGLYCYSTYR

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:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_2
2D 1H-1H NOESYsample_2isotropicsample_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