BMRB Entry 30793
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30793
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Title: Solution structure of lantibiotic from Paenibacillus kyungheensis PubMed: 33324379
Deposition date: 2020-09-08 Original release date: 2020-11-20
Authors: Karczewski, J.; Diehl, C.
Citation: Karczewski, J.; Krasucki, S.; Asare-Okai, P.; Diehl, C.; Friedman, P.; Brown, C.; Maezato, Y.; Streatfield, S.. "Isolation, Characterization and Structure Elucidation of a Novel Lantibiotic From Paenibacillus sp" Front. Microbiol. 11, 598789-598789 (2020).
Assembly members:
entity_1, polymer, 32 residues, 3456.045 Da.
Natural source: Common Name: Paenibacillus kyungheensis Taxonomy ID: 1452732 Superkingdom: Bacteria Kingdom: not available Genus/species: Paenibacillus kyungheensis
Experimental source: Production method: na
Entity Sequences (FASTA):
entity_1: WKSQXFCTPGCVTGVLQXCF
IQTATCNCHIXK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 98 |
| 15N chemical shifts | 35 |
| 1H chemical shifts | 208 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 32 residues - 3456.045 Da.
| 1 | TRP | LYS | SER | GLN | DHA | PHE | CYS | THR | PRO | GLY | ||||
| 2 | CYS | VAL | THR | GLY | VAL | LEU | GLN | MDH | CYS | PHE | ||||
| 3 | ILE | GLN | THR | ALA | THR | CYS | ASN | CYS | HIS | ILE | ||||
| 4 | DHA | LYS |
Samples:
sample_1: CMB001 5.7 mM
sample_conditions_1: ionic strength: 0 M; pressure: 1 bar; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
GROMACS, Lindahl, Abraham, Hess, van der Spoel - refinement, structure calculation
CcpNmr Analysis, CCPN - chemical shift assignment, peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker AVANCE 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts