BMRB Entry 18661
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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/BMR18661
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Title: STRUCTURE OF LASSO PEPTIDE CAULOSEGNIN I PubMed: 23214991
Deposition date: 2012-08-15 Original release date: 2013-01-03
Authors: Hegemann, J.; Zimmermann, M.; Xie, X.; Marahiel, M.
Citation: Hegemann, Julian; Zimmermann, Marcel; Xie, Xiulan; Marahiel, Mohamed. "Caulosegnins I-III: A Highly Diverse Group of Lasso Peptides Derived from a Single Biosynthetic Gene Cluster." J. Am. Chem. Soc. 135, 210-222 (2013).
Assembly members:
CAULOSEGNIN_I, polymer, 19 residues, 1918.98 Da.
Natural source: Common Name: a-proteobacteria Taxonomy ID: 88688 Superkingdom: Bacteria Kingdom: not available Genus/species: Caulobacter Segnis
Experimental source: Production method: recombinant technology Host organism: CAULOBACTER SEGNIS
Entity Sequences (FASTA):
CAULOSEGNIN_I: GAFVGQPEAVNPLGREIQG
- assigned_chemical_shifts
- homonucl_NOEs
| Data type | Count |
| 1H chemical shifts | 123 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CAULOSEGNIN I | 1 |
Entities:
Entity 1, CAULOSEGNIN I 19 residues - 1918.98 Da.
| 1 | GLY | ALA | PHE | VAL | GLY | GLN | PRO | GLU | ALA | VAL | ||||
| 2 | ASN | PRO | LEU | GLY | ARG | GLU | ILE | GLN | GLY |
Samples:
sample_1: CAULOSEGNIN I 10 mM; methanol 100%
sample_conditions_1: ionic strength: . M; pH: .; pressure: 1 atm; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz