BMRB Entry 19250
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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/BMR19250
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Title: STRUCTURE OF LASSO PEPTIDE ASTEXIN3 PubMed: 23862624
Deposition date: 2013-05-18 Original release date: 2013-07-29
Authors: Maksimov, Mikhail; Link, A. James
Citation: Maksimov, Mikhail; Link, A. James. "Discovery and characterization of an isopeptidase that linearizes lasso peptides." J. Am. Chem. Soc. 135, 12038-12047 (2013).
Assembly members:
ASTEXIN3, polymer, 24 residues, 2542.775 Da.
Natural source: Common Name: ASTICCACAULIS EXCENTRICUS 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):
ASTEXIN3: GPTPMVGLDSVSGQYWDQHA
PLAD
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 155 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ASTEXIN3 | 1 |
Entities:
Entity 1, ASTEXIN3 24 residues - 2542.775 Da.
| 1 | GLY | PRO | THR | PRO | MET | VAL | GLY | LEU | ASP | SER | ||||
| 2 | VAL | SER | GLY | GLN | TYR | TRP | ASP | GLN | HIS | ALA | ||||
| 3 | PRO | LEU | ALA | ASP |
Samples:
sample: ASTEXIN3 16.25 mg/mL
sample_conditions_1: 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 v6.0, Guntert, Mumenthaler and Wuthrich - structure solution
TOPSPIN v2.1, Ponder - processing
MESTRENOVA v7.0.3, MestreLab Research, S.S.L., Santiago de Compostella, Spain - processing
TINKER v6.0, Ponder - refinement
NMR spectrometers:
- BRUKER AVANCE-III 500 MHz