BMRB Entry 25783
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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/BMR25783
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Title: Astexin3 PubMed: 26534965
Deposition date: 2015-08-28 Original release date: 2015-11-09
Authors: Link, A. James; Maksimov, Mikhail
Citation: Maksimov, Mikhail; Koos, Joseph; Zong, Chuhan; Lisko, Bozhena; Link, A. James. "Elucidating the Specificity Determinants of the AtxE2 Lasso Peptide Isopeptidase" J. Biol. Chem. 290, 30806-30812 (2015).
Assembly members:
LASSO_PEPTIDE_ASTEXIN3, polymer, 24 residues, 2542.775 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):
LASSO_PEPTIDE_ASTEXIN3: GPTPMVGLDSVSGQYWDQHA
PLAD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 73 |
| 1H chemical shifts | 155 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 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_1: astexin3 6.4 ± 1.4 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