BMRB Entry 25269
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/BMR25269
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: Structure of ASM1
Deposition date: 2014-10-06 Original release date: 2018-03-01
Authors: Goroncy, Alexander; Loo, Trevor; Koolaard, Adrian; Patchett, Mark; Norris, Gillian
Citation: Goroncy, Alexander; Loo, Trevor; Koolaard, Adrian; Patchett, Mark; Norris, Gillian. "Structural Characterization of the S-glycosylated Bacteriocin ASM1 from Lactobacillus plantarum" Magnetochemistry 6, 16-16 (2020).
Assembly members:
entity_1, polymer, 43 residues, 4651.216 Da.
N-ACETYL-D-GLUCOSAMINE, non-polymer, 221.208 Da.
Natural source: Common Name: firmicutes Taxonomy ID: 1590 Superkingdom: Bacteria Kingdom: not available Genus/species: Lactobacillus plantarum
Experimental source: Production method: purified from the natural source Host organism: Lactobacillus plantarum
Entity Sequences (FASTA):
entity_1: KPAWCWYTLAMCGAGYDSGT
CDYMYSHCFGVKHSSGGGGS
YHC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 152 |
| 15N chemical shifts | 45 |
| 1H chemical shifts | 274 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | SUGAR (N-ACETYL-D-GLUCOSAMINE)_1 | 2 |
| 3 | SUGAR (N-ACETYL-D-GLUCOSAMINE)_2 | 2 |
Entities:
Entity 1, entity_1 43 residues - 4651.216 Da.
| 1 | LYS | PRO | ALA | TRP | CYS | TRP | TYR | THR | LEU | ALA | ||||
| 2 | MET | CYS | GLY | ALA | GLY | TYR | ASP | SER | GLY | THR | ||||
| 3 | CYS | ASP | TYR | MET | TYR | SER | HIS | CYS | PHE | GLY | ||||
| 4 | VAL | LYS | HIS | SER | SER | GLY | GLY | GLY | GLY | SER | ||||
| 5 | TYR | HIS | CYS |
Entity 2, SUGAR (N-ACETYL-D-GLUCOSAMINE)_1 - C8 H15 N O6 - 221.208 Da.
| 1 | NAG |
Samples:
sample_1: entity_1 1 mM; d3-acetonitrile 38%; water 56.8%; d-acetic acid 0.2%; D2O 5%
sample_conditions_1: pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMBC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N-HSQC-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C-HSQC-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C-H2BC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection
NMRPipe v2011.118.08.55, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
kujira v0.9843, Naohiro Kobayashi - processing
NMRView, Johnson, One Moon Scientific - processing
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement, structure solution
NMR spectrometers:
- Bruker Avance 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts