BMRB Entry 30039
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30039
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Title: NMR structure of antibacterial factor-2
Deposition date: 2016-03-23 Original release date: 2017-03-27
Authors: Masakatsu, K.; Umetsu, Y.; Rumi, F.; Kikukawa, T.; Ohki, S.; Mizuguchi, M.; Demura, M.; Aizawa, T.
Citation: Rumi, F.; Kamiya, M.; Umetsu, Y.; Kikukawa, T.; Demura, M.; Aizawa, T.. "NMR structure of ABF-2 (antibacterial factor-2) from C. elegans and the interaction with membrane mimetic systems" . ., .-..
Assembly members:
Antibacterial factor-related peptide 2, polymer, 68 residues, 7140.460 Da.
Natural source: Common Name: nematodes Taxonomy ID: 6239 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Caenorhabditis elegans
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Antibacterial factor-related peptide 2: MDIDFSTCARMDVPILKKAA
QGLCITSCSMQNCGTGSCKK
RSGRPTCVCYRCANGGGDIP
LGALIKRG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 197 |
| 15N chemical shifts | 59 |
| 1H chemical shifts | 404 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 68 residues - 7140.460 Da.
| 1 | MET | ASP | ILE | ASP | PHE | SER | THR | CYS | ALA | ARG | ||||
| 2 | MET | ASP | VAL | PRO | ILE | LEU | LYS | LYS | ALA | ALA | ||||
| 3 | GLN | GLY | LEU | CYS | ILE | THR | SER | CYS | SER | MET | ||||
| 4 | GLN | ASN | CYS | GLY | THR | GLY | SER | CYS | LYS | LYS | ||||
| 5 | ARG | SER | GLY | ARG | PRO | THR | CYS | VAL | CYS | TYR | ||||
| 6 | ARG | CYS | ALA | ASN | GLY | GLY | GLY | ASP | ILE | PRO | ||||
| 7 | LEU | GLY | ALA | LEU | ILE | LYS | ARG | GLY |
Samples:
sample_1: Antibacterial factor-2, [U-100% 13C; U-100% 15N], 1 mM; H2O 90%; D2O 10%
sample_2: Antibacterial factor-2, [U-100% 15N], 1 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0 mM; pH: 5.7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY v3.115, Goddard - chemical shift assignment
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker AvanceIII 600 MHz
- Bruker DRX 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts