BMRB Entry 25754
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25754
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Title: Astexin1 PubMed: 26534965
Deposition date: 2015-08-13 Original release date: 2015-11-02
Authors: Link, A. James; Maksimov, Mikhail
Citation: Maksimov, Mikhail; Koos, Joseph; Zong, Chuhan; Link, A. James; Lisko, Bozhena. "Elucidating the Specificity Determinants of the AtxE2 Lasso Peptide Isopeptidase" J. Biol. Chem. 290, 30806-30812 (2015).
Assembly members:
LASSO_PEPTIDE_ASTEXIN1, polymer, 23 residues, 2583.721 Da.
Natural source: Common Name: a-proteobacteria Taxonomy ID: 573065 Superkingdom: Bacteria Kingdom: not available Genus/species: Asticcacaulis excentricus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
LASSO_PEPTIDE_ASTEXIN1: GLSQGVEPDIGQTYFEESRI
NQD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 73 |
| 1H chemical shifts | 154 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | LASSO peptide Astexin1 | 1 |
Entities:
Entity 1, LASSO peptide 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_1: astexin1 7.27 ± 1.16 mg/mL; H2O 95%; D2O 5%
sample_conditions_1: pressure: 1 atm; temperature: 295 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
Mestrenova v9.0.0, Mestrelab Research - data analysis
GROMACS v4.6.5, Hess, Kutzner, van der Spoel and Lindahl - refinement
NMR spectrometers:
- Bruker Avance 800 MHz