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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/BMR30843
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Cao, Li; Beiser, Moshe; Koos, Joseph; Orlova, Margarita; Elashal, Hader; Schroder, Hendrik; Link, A James. "Cellulonodin-2 and Lihuanodin: Lasso Peptides with an Aspartimide Post-Translational Modification" J. Am. Chem. Soc. 143, 11690-11702 (2021).
PubMed: 34283601
Assembly members:
entity_1, polymer, 15 residues, 1753.780 Da.
Natural source: Common Name: Lihuaxuella thermophila Taxonomy ID: 1173111 Superkingdom: Bacteria Kingdom: not available Genus/species: Lihuaxuella thermophila
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21
Entity Sequences (FASTA):
entity_1: GSKYSDTADESSYRW
Data type | Count |
1H chemical shifts | 84 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | unit_1 | 1 |
Entity 1, unit_1 15 residues - 1753.780 Da.
1 | GLY | SER | LYS | TYR | SER | ASP | THR | ALA | ASP | GLU | ||||
2 | SER | SER | TYR | ARG | TRP |
sample_1: lihuanodin 1.6 mM
sample_conditions_1: ionic strength: 0 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D NOESY | sample_1 | isotropic | sample_conditions_1 |
MestreLab (Mnova / MestReNova / MestReC), MestreLab Research - chemical shift assignment, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - refinement