BMRB Entry 34357
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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/BMR34357
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Usachev, K.; Kolosova, O.; Klochkova, E.; Klochkov, V.. "Structure investigations of Protegrin-4 by High resolution NMR spectroscopy" Mol. Biol. Cell 29, 561-. (2018).
Assembly members:
entity_1, polymer, 18 residues, 2109.573 Da.
Natural source: Common Name: Pig Taxonomy ID: 9823 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Sus scrofa
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: RGGRLCYCRGWICFCVGR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 81 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 18 residues - 2109.573 Da.
| 1 | ARG | GLY | GLY | ARG | LEU | CYS | TYR | CYS | ARG | GLY | ||||
| 2 | TRP | ILE | CYS | PHE | CYS | VAL | GLY | ARG |
Samples:
sample_1: Protegrin 4 5.1 mM; CHAPS 20 mM
sample_conditions_1: ionic strength: 0 Not defined; pH: 6.8; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger A. T. et.al. - refinement
ARIA, Linge, O'Donoghue and Nilges - structure calculation
Analysis, CCPN - chemical shift assignment
cc, CCPN - peak picking
NMR spectrometers:
- Bruker AvanceIII 700 MHz