BMRB Entry 31109
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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/BMR31109
MolProbity Validation Chart
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Citation: Saad, H.; Mitchell, D.. "Discovery and Structural Characterization of Two-Trp modified lassopeptides, Chlorolassin and Wygwalassin A1" .
Assembly members:
entity_1, polymer, 15 residues, 1814.735 Da.
Natural source: Common Name: Lentzea jiangxiensis Taxonomy ID: 641025 Superkingdom: Bacteria Kingdom: not available Genus/species: Lentzea jiangxiensis
Experimental source: Production method: recombinant technology Host organism: Streptomyces albus J1074
Entity Sequences (FASTA):
entity_1: GIGSQNPXDTAXLWD
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 97 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 15 residues - 1814.735 Da.
| 1 | GLY | ILE | GLY | SER | GLN | ASN | PRO | 5CW | ASP | THR | ||||
| 2 | ALA | 5CW | LEU | TRP | ASP |
Samples:
sample_1: lassopeptide 6 mM
sample_conditions_1: ionic strength: 0 mM; pH: 6.5; pressure: 1 atm; temperature: 313.15 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-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMBC | sample_1 | isotropic | sample_conditions_1 |
Software:
VnmrJ v4.2, VnmrJ 4.2 Biopack - collection
X-PLOR NIH v2.51, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
MestreLab (Mnova / MestReNova / MestReC) v14.3.0, Mestrelab Research S.L. - chemical shift assignment
Sparky, Goddard - data analysis
NMR spectrometers:
- Agilent VNMRS 750 MHz