BMRB Entry 30789
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30789
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 2.11 (Pcn2.11) produced by Prochlorococcus MIT 9313
Deposition date: 2020-08-19 Original release date: 2020-09-07
Authors: Bobeica, S.; van der Donk, W.; Zhu, L.
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. ., .-. (2020).
Assembly members:
entity_1, polymer, 20 residues, 1831.042 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 BL21(DE3)
Entity Sequences (FASTA):
entity_1: GRIDXCPAGGGXXEQXGXCC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 86 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 20 residues - 1831.042 Da.
| 1 | GLY | ARG | ILE | ASP | DBU | CYS | PRO | ALA | GLY | GLY | |
| 2 | GLY | DBB | DAL | GLU | GLN | DBB | GLY | DBU | CYS | CYS |
Samples:
sample_1: Prochlorosin 2.11 1 ± 0.2 mM
sample_2: Prochlorosin 2.11 1 ± 0.2 mM
sample_conditions_1: ionic strength: 0 Not defined; pH: 6; pressure: 1 atm; temperature: 296 K
sample_conditions_2: ionic strength: 0 Not defined; pH: 6; pressure: 1 atm; temperature: 277 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRFAM-SPARKY v2.51, NMRFAM - peak picking
X-PLOR NIH v2.51, Schwieters, Kuszewski, Tjandra and Clore - refinement
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation
NMR spectrometers:
- Agilent VNMRs 750 MHz