BMRB Entry 31086
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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/BMR31086
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Title: Antimicrobial lasso peptide achromonodin-1 PubMed: 37870195
Deposition date: 2023-05-16 Original release date: 2023-10-07
Authors: Carson, D.; Cheung-Lee, W.; So, L.; Link, A.
Citation: Carson, Drew; Zhang, Yi; So, Larry; Cheung-Lee, Wai Ling; Cartagena, Alexis Jaramillo; Darst, Seth; Link, A James. "Discovery, Characterization, and Bioactivity of the Achromonodins: Lasso Peptides Encoded by Achromobacter" J. Nat. Prod. 86, 2448-2456 (2023).
Assembly members:
entity_1, polymer, 30 residues, 3220.588 Da.
Natural source: Common Name: Achromobacter xylosoxidans Taxonomy ID: 85698 Superkingdom: Bacteria Kingdom: not available Genus/species: Achromobacter xylosoxidans
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21
Entity Sequences (FASTA):
entity_1: GGGGPTPEYFLMPIDPAWLQ
ANLPNTGKYN
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 196 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 30 residues - 3220.588 Da.
| 1 | GLY | GLY | GLY | GLY | PRO | THR | PRO | GLU | TYR | PHE | |
| 2 | LEU | MET | PRO | ILE | ASP | PRO | ALA | TRP | LEU | GLN | |
| 3 | ALA | ASN | LEU | PRO | ASN | THR | GLY | LYS | TYR | ASN |
Samples:
sample_1: Achromonodin-1 10 mg/mL
sample_conditions_1: ionic strength: 0 mM; pH: 7; pressure: 1 atm; temperature: 295 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-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
MestreLab (Mnova / MestReNova / MestReC) v14.2.0-26256, MestreLab Research - chemical shift assignment, peak picking
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
NMR spectrometers:
- Bruker AVANCE III 800 MHz