BMRB Entry 30714
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30714
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
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
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 142 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 28 residues - 2762.152 Da.
| 1 | CYS | 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 | 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