BMRB Entry 18481
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18481
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Title: STRUCTURE OF LASSO PEPTIDE ASTEXIN1 PubMed: 22949633
Deposition date: 2012-05-25 Original release date: 2012-09-04
Authors: Maksimov, M.; Link, A.
Citation: Maksimov, Mikhail; Pelczer, Istvan; Link, A. James. "Precursor-centric genome-mining approach for lasso peptide discovery." Proc. Natl. Acad. Sci. U.S.A. 109, 15223-15228 (2012).
Assembly members:
ASTEXIN1, polymer, 23 residues, 2583.721 Da.
Natural source: Common Name: a-proteobacteria Taxonomy ID: 78587 Superkingdom: Bacteria Kingdom: not available Genus/species: ASTICCACAULIS EXCENTRICUS
Experimental source: Production method: recombinant technology Host organism: ESCHERICHIA COLI
Entity Sequences (FASTA):
ASTEXIN1: GLSQGVEPDIGQTYFEESRI
NQD
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 159 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ASTEXIN1 | 1 |
Entities:
Entity 1, ASTEXIN1 23 residues - 2583.721 Da.
| 1 | GLY | LEU | SER | GLN | GLY | VAL | GLU | PRO | ASP | ILE | ||||
| 2 | GLY | GLN | THR | TYR | PHE | GLU | GLU | SER | ARG | ILE | ||||
| 3 | ASN | GLN | ASP |
Samples:
sample: ASTEXIN1 4.4 mg/mL
sample_conditions_1: pressure: 1 atm; temperature: 295 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | sample | isotropic | sample_conditions_1 |
| 2D NOESY | sample | isotropic | sample_conditions_1 |
| 2D COSY | sample | isotropic | sample_conditions_1 |
Software:
CYANA_TINKER v2.1, 6.0, GUNTERT, P. (CYANA), PONDER, J. (TINKER) - refinement
TOPSPIN v2.1, Bruker Biospin - collection
MESTRENOVA v7.0.3, Mestrelab Research - data analysis
NMR spectrometers:
- BRUKER AVANCE-III 500 MHz