BMRB Entry 31037
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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/BMR31037
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Title: Antimicrobial lasso peptide cloacaenodin PubMed: 36519726
Deposition date: 2022-08-04 Original release date: 2022-11-28
Authors: Carson, D.; Link, A.
Citation: Carson, Drew; Patino, Monica; Elashal, Hader; Cartagena, Alexis Jaramillo; Zhang, Yi; Whitley, Megan; So, Larry; Kayser-Browne, Angelo; Earl, Ashlee; Bhattacharyya, Roby; Link, A James. "Cloacaenodin, an Antimicrobial Lasso Peptide with Activity against Enterobacter" ACS Infect. Dis. 9, 111-121 (2023).
Assembly members:
entity_1, polymer, 24 residues, 2603.924 Da.
Natural source: Common Name: Enterobacter hormaechei Taxonomy ID: 158836 Superkingdom: Bacteria Kingdom: not available Genus/species: Enterobacter hormaechei
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21 Vector: pAK2
Entity Sequences (FASTA):
entity_1: GHSVDRIPEYFGPPGLPGPV
LFYS
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 145 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 24 residues - 2603.924 Da.
| 1 | GLY | HIS | SER | VAL | ASP | ARG | ILE | PRO | GLU | TYR | ||||
| 2 | PHE | GLY | PRO | PRO | GLY | LEU | PRO | GLY | PRO | VAL | ||||
| 3 | LEU | PHE | TYR | SER |
Samples:
sample_1: Cloacaenodin 6.7 mg/mL
sample_conditions_1: ionic strength: 0 M; pH: 6.5; pressure: 1 atm; temperature: 277 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 |
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