BMRB Entry 25212
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25212
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Usachev, Konstantin; Efimov, Sergey; Kolosova, A.; Filippov, Andrey; Klochkov, Vladimir. "High-resolution NMR structure of the antimicrobial peptide protegrin-2 docked to DPC Micelles" J. Biomol. NMR 61, 227-234 (2015).
PubMed: 25430060
Assembly members:
PG-2, polymer, 16 residues, 1952.423 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
PG-2: RGGRLCYCRRRFCVCV
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 107 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PG-2 | 1 |
Entities:
Entity 1, PG-2 16 residues - 1952.423 Da.
| 1 | ARG | GLY | GLY | ARG | LEU | CYS | TYR | CYS | ARG | ARG | ||||
| 2 | ARG | PHE | CYS | VAL | CYS | VAL |
Samples:
PG-2_sample: PG-2 4 mg; H2O 90%; D2O, [U-99% 2H], 10%; DPC, [U-99% 2H], 20 mg
sample_conditions_1: temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | PG-2_sample | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | PG-2_sample | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | PG-2_sample | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - structure solution
Molmol, Koradi, Billeter and Wuthrich - data analysis
TOPSPIN, Bruker Biospin - processing
NMR spectrometers:
- Bruker Avance 500 MHz