BMRB Entry 25782
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25782
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Astexin2-dC4 PubMed: 26534965
Deposition date: 2015-08-28 Original release date: 2015-11-17
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_ASTEXIN2-dC4, polymer, 20 residues, 2134.348 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_ASTEXIN2-dC4: GLTQIQALDSVSGQFRDQLG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 59 |
| 1H chemical shifts | 130 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Lasso peptide Astexin2-dC4 | 1 |
Entities:
Entity 1, Lasso peptide Astexin2-dC4 20 residues - 2134.348 Da.
| 1 | GLY | LEU | THR | GLN | ILE | GLN | ALA | LEU | ASP | SER | |
| 2 | VAL | SER | GLY | GLN | PHE | ARG | ASP | GLN | LEU | GLY |
Samples:
sample_1: astexin2-dC4 2.7 mg/mL
sample_2: astexin2-dC4 4.9 mM
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 |
| 2D 1H-13C HSQC | sample_2 | 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