BMRB Entry 34705
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34705
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NMR-STAR v3 text file.
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Title: Hm-AMP2
Deposition date: 2022-02-01 Original release date: 2022-11-28
Authors: Grafskaia, E.; Pavlova, E.; Latsis, I.; Malakhova, M.; Lavrenova, V.; Ivchenkov, D.; Bashkirov, P.; Kot, E.; Mineev, K.; Arseniev, A.; Klinov, D.; Lazarev, V.
Citation: Grafskaia, E.; Pavlova, E.; Latsis, I.; Malakhova, M.; Ivchenkov, D.; Bashkirov, P.; Kot, E.; Mineev, K.; Arseniev, A.; Klinov, D.; Lazarev, V.. "Non-toxic antimicrobial peptide Hm-AMP2 from leech metagenome proteins identified by the gradient-boosting approach" Materials 224, 111364-. (2022).
Assembly members:
entity_1, polymer, 13 residues, 1730.047 Da.
Natural source: Common Name: medicinal leech Taxonomy ID: 6421 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Hirudo medicinalis
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: EKRWRRLIFNYFX
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 40 |
| 15N chemical shifts | 15 |
| 1H chemical shifts | 107 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 13 residues - 1730.047 Da.
| 1 | GLU | LYS | ARG | TRP | ARG | ARG | LEU | ILE | PHE | ASN | ||||
| 2 | TYR | PHE | NH2 |
Samples:
sample_1: prok_2590_2 peptide 0.85 mM; dodecyl phosphocholine, [U-2H], 85 mM; sodium acetate, [U-2H], 20 mM; sodium azide 0.01 % w/w; D2O, [U-2H], 5 % v/v
sample_conditions_1: ionic strength: 20 mM; pH: 4.8; pressure: 1 atm; temperature: 303.0 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin v3.2, Bruker Biospin - collection
CARA v1.9.1.7, Keller and Wuthrich - chemical shift assignment, peak picking
CYANA v3.98.5, Guntert, Mumenthaler and Wuthrich - structure calculation
NMR spectrometers:
- Bruker AVANCE II 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts