BMRB Entry 16241
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16241
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Title: Plantaricin J in TFE PubMed: 19538999
Deposition date: 2009-04-06 Original release date: 2009-06-25
Authors: Rogne, Per; Haugen, Christofer; Kristiansen, Per Eugen; Nissen-Meyer, Jon
Citation: Rogne, Per; Haugen, Christofer; Fimland, Gunnar; Nissen-Meyer, Jon; Kristiansen, Per Eugen. "Three-dimensional structure of the two-peptide bacteriocin plantaricin JK" Peptides 30, 1613-1621 (2009).
Assembly members:
PlnJ, polymer, 25 residues, 2935.335 Da.
Natural source: Common Name: Lactobacillus plantarum Taxonomy ID: 1590 Superkingdom: Bacteria Kingdom: not available Genus/species: Lactobacillus plantarum
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
PlnJ: GAWKNFWSSLRKGFYDGEAG
RAIRR
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 13C chemical shifts | 88 |
| 15N chemical shifts | 27 |
| 1H chemical shifts | 180 |
| coupling constants | 19 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PlnJ | 1 |
Entities:
Entity 1, PlnJ 25 residues - 2935.335 Da.
| 1 | GLY | ALA | TRP | LYS | ASN | PHE | TRP | SER | SER | LEU | ||||
| 2 | ARG | LYS | GLY | PHE | TYR | ASP | GLY | GLU | ALA | GLY | ||||
| 3 | ARG | ALA | ILE | ARG | ARG |
Samples:
Unlabeled: PlnJ 1 mM; TFE, [U-99% 2H], 50%; TFA 0.1%; DSS 0.2 mM
sample_conditions_1: pH: 2.5; pressure: 1 atm; temperature: 297 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | Unlabeled | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | Unlabeled | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | Unlabeled | isotropic | sample_conditions_1 |
| 2D DQF-COSY | Unlabeled | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | Unlabeled | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | Unlabeled | isotropic | sample_conditions_1 |
Software:
TOPSPIN v1.3, Bruker Biospin - collection, processing
SPARKY, Goddard - chemical shift assignment, peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
ACME, Delaglio, Zhengrong and Bax - data analysis
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
Molmol v2k2, Koradi, Billeter and Wuthrich - data analysis
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| BMRB | 16239 |
| PDB | |
| EMBL | CAA64198 CCC77915 |
| GB | AAS21883 ABC59149 ACO06038 ADE08245 ADN97562 |
| REF | WP_003641973 WP_015379769 WP_033611278 YP_004888429 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts