BMRB Entry 34757
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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/BMR34757
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Title: Antimicrobial peptide capitellacin from polychaeta Capitella teleta in DPC (dodecylphosphocholine) micelles, dimeric form
Deposition date: 2022-09-21 Original release date: 2023-10-16
Authors: Mironov, P.; Reznikova, O.; Paramonov, A.; Shenkarev, Z.
Citation: Mironov, P.; Paramonov, A.; Reznikova, O.; Shenkarev, Z.. "Antimicrobial peptide capitellacin from polychaeta Capitella teleta in DPC (dodecylphosphocholine) micelles, dimeric form" .
Assembly members:
entity_1, polymer, 20 residues, 2388.888 Da.
Natural source: Common Name: segmented worms Taxonomy ID: 283909 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Capitella teleta
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3) Vector: pET
Entity Sequences (FASTA):
entity_1: SPRVCIRVCRNGVCYRRCWG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 96 |
| 15N chemical shifts | 21 |
| 1H chemical shifts | 268 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 1 |
Entities:
Entity 1, unit_1 20 residues - 2388.888 Da.
| 1 | SER | PRO | ARG | VAL | CYS | ILE | ARG | VAL | CYS | ARG | |
| 2 | ASN | GLY | VAL | CYS | TYR | ARG | ARG | CYS | TRP | GLY |
Samples:
sample_1: capitellacin 2 mg/mL; DPC 168 mM; D2O, [U-99% 2H], 5 % v/v
sample_2: capitellacin, [U-100% 15N], 50 uM; DPC 6.5 mM; D2O, [U-99% 2H], 5 % v/v
sample_conditions_1: ionic strength: 0.001 M; pH: 5.4; pressure: 1 atm; temperature: 318 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | anisotropic | sample_conditions_1 |
Software:
CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
TopSpin v3.0, Bruker Biospin - collection
CARA v1.9.1.7, Keller and Wuthrich - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AVANCE III 600 MHz
- Bruker AVANCE III 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts