BMRB Entry 30476
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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/BMR30476
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Shekhtman, A.; Breindel, L.; Zhang, Q.; Chen, H.. "Solution structure of the cyclic tetrapeptide, PYPV." .
Assembly members:
Cyclic tetrapeptide PYPV, polymer, 4 residues, 474.549 Da.
Natural source: Common Name: Lactobacillus helveticus Taxonomy ID: 1587 Superkingdom: Bacteria Kingdom: not available Genus/species: Lactobacillus helveticus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Cyclic tetrapeptide PYPV: PYPV
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 16 |
| 1H chemical shifts | 30 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 4 residues - 474.549 Da.
| 1 | PRO | TYR | PRO | VAL |
Samples:
sample_1: cyclo(-L-Pro-L-Tyr-L-Pro-L-Val-) 1 ± 0.1 mM
sample_conditions_1: ionic strength: 0 Not defined; pH: 7.0 pH*; pressure: 1 bar; temperature: 293 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-1H ROESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.96, Guntert P., Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
CARA, Keller and Wuthrich, Keller, Wuthrich - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance III 600 MHz