BMRB Entry 30713
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30713
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Title: Solution NMR structure of Prochlorosin 2.10 produced by Prochlorococcus MIT 9313 PubMed: 20479271
Deposition date: 2020-01-13 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, 21 residues, 2026.474 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: AGGXIPXLMXGCGWLXGLCV
R
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 131 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 21 residues - 2026.474 Da.
| 1 | ALA | GLY | GLY | DBU | ILE | PRO | DAL | LEU | MET | DBB | ||||
| 2 | GLY | CYS | GLY | TRP | LEU | DBU | GLY | LEU | CYS | VAL | ||||
| 3 | ARG |
Samples:
sample_1: Prochlorosin 2.10 4 ± 0.2 mM
sample_2: Prochlorosin 2.10 4 ± 0.2 mM
sample_conditions_1: pH: 6.0; pressure: 1 atm; temperature: 313 K
sample_conditions_2: pH: 6; pressure: 1 atm; temperature: 313 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, data analysis, peak picking
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
NMR spectrometers:
- Agilent VNMRs 750 MHz