BMRB Entry 31262
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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/BMR31262
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Matos, C.; Liao, L.. "STRUCTURAL STUDIES OF KI17 ANTIMICROBIAL PEPTIDE
" .
Assembly members:
entity_1, polymer, 17 residues, 1851.372 Da.
Natural source: Common Name: Talisia esculenta Taxonomy ID: 575650 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Talisia esculenta
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: IVSAIRKILGRIKILPG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 61 |
| 1H chemical shifts | 148 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 17 residues - 1851.372 Da.
| 1 | ILE | VAL | SER | ALA | ILE | ARG | LYS | ILE | LEU | GLY | ||||
| 2 | ARG | ILE | LYS | ILE | LEU | PRO | GLY |
Samples:
sample_1: peptide 1 ± 0.2 mM; SDS 100 ± 0.2 mM
sample_conditions_1: ionic strength: 0 mM; pH: 4.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - collection
CcpNmr Analysis v2, CCPN - chemical shift assignment, peak picking, processing
CNS v2, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
NMR spectrometers:
- Bruker AVANCE III 500 MHz