BMRB Entry 34706
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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/BMR34706
MolProbity Validation Chart
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NMR-STAR v3 text file.
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All files associated with the entry
Title: Hm-AMP8
Deposition date: 2022-02-01 Original release date: 2023-02-08
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.; Lavrenova, V.; Ivchenkov, D.; Bashkirov, P.; Kot, E.; Mineev, K.; Arseniev, A.; Klinov, D.; Lazarev, V.. "The study of the interaction of cationic peptides from a medical leech with blood components as a first step to the systemic use of antimicrobial peptides for therapy of infectious diseases" .
Assembly members:
entity_1, polymer, 24 residues, 2678.292 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: RAVIYKIPYNAIASRWIIAP
KKCX
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 88 |
| 15N chemical shifts | 23 |
| 1H chemical shifts | 184 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 24 residues - 2678.292 Da.
| 1 | ARG | ALA | VAL | ILE | TYR | LYS | ILE | PRO | TYR | ASN | ||||
| 2 | ALA | ILE | ALA | SER | ARG | TRP | ILE | ILE | ALA | PRO | ||||
| 3 | LYS | LYS | CYS | NH2 |
Samples:
sample_1: prok_02022 peptide 0.9 mM; dodecyl phosphocholine, [U-2H], 91.3 mM; sodium acetate buffer, [U-2H], 20 mM; sodium azide 0.01 % w/v; TCEP 2 mM
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 | 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 - refinement, structure calculation
NMR spectrometers:
- Bruker AVANCE 700 MHz
- Bruker AVANCE III 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts