BMRB Entry 27863
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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/BMR27863
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Pichlo, Christian; Jutten, Linda; Wojtalla, Fabian; Schacherl, Magdalena; Diaz, Dolores; Baumann, Ulrich. "Molecular determinants of the mechanism and substrate specificity of Clostridium difficile proline-proline endopeptidase-1" J. Biol. Chem. 294, 11525-11535 (2019).
PubMed: 31182482
Assembly members:
PP_peptide, polymer, 7 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
PP_peptide: EVNPPVP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 23 |
| 1H chemical shifts | 51 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | EVNPPVP heptapeptide | 1 |
Entities:
Entity 1, EVNPPVP heptapeptide 7 residues - Formula weight is not available
| 1 | GLU | VAL | ASN | PRO | PRO | VAL | PRO |
Samples:
sample_1: PP peptide 2 mM; PBS buffer 50 mM
sample_conditions_1: ionic strength: 0.175 M; pH: 7; 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, processing
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 600 MHz