BMRB Entry 36107
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36107
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: Solution structure of arenicin-3 derivative N2 PubMed: 28611436
Deposition date: 2017-07-17 Original release date: 2017-08-29
Authors: Liu, X.; Wang, J.
Citation: Yang, N.; Liu, X.; Teng, D.; Li, Z.; Wang, X.; Mao, R.; Wang, X.; Hao, Y.; Wang, J.. "Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis" Sci. Rep. 7, 3392-3392 (2017).
Assembly members:
N2, polymer, 21 residues, 2575.053 Da.
Natural source: Common Name: Arenicola marina Taxonomy ID: 6344 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Arenicola not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
N2: AFCWNVCVYRNAVRVCHRRC
N
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 60 |
15N chemical shifts | 24 |
1H chemical shifts | 146 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 21 residues - 2575.053 Da.
1 | ALA | PHE | CYS | TRP | ASN | VAL | CYS | VAL | TYR | ARG | ||||
2 | ASN | ALA | VAL | ARG | VAL | CYS | HIS | ARG | ARG | CYS | ||||
3 | ASN |
Samples:
sample_1: N2 2.0 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA, Linge, O'Donoghue and Nilges - structure calculation
Analysis, CCPN - chemical shift assignment
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Agilent dd2 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts