BMRB Entry 36066
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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/BMR36066
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Title: Disulfide-constrained Wound Healing Peptide Derived from Pereskia bleo
Deposition date: 2017-03-17 Original release date: 2018-02-12
Authors: Xiao, T.; Tam, J.
Citation: Loo, S.; Kam, A.; Xiao, T.; Li, B.; Tam, J.. "Disulfide-constrained Wound Healing Peptide Derived from Pereskia bleo" . ., .-..
Assembly members:
pB1, polymer, 36 residues, 3855.474 Da.
Natural source: Common Name: Pereskia bleo Taxonomy ID: 307721 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Leuenbergeria bleo
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
pB1: QCKPNGAKCTEISIPPCCSN
FCLRYAGQKSGTCANR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 214 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 36 residues - 3855.474 Da.
| 1 | GLN | CYS | LYS | PRO | ASN | GLY | ALA | LYS | CYS | THR | ||||
| 2 | GLU | ILE | SER | ILE | PRO | PRO | CYS | CYS | SER | ASN | ||||
| 3 | PHE | CYS | LEU | ARG | TYR | ALA | GLY | GLN | LYS | SER | ||||
| 4 | GLY | THR | CYS | ALA | ASN | ARG |
Samples:
sample_1: pB1 1.5 mM; TFA 0.03%; H2O 95%; D2O, [U-100% 2H], 5%
sample_conditions_1: ionic strength: 0 mM; pH: 3.5; 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 |
Software:
CNS v1.3 - refinement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment
TOPSPIN, Bruker Biospin - collection
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
NMR spectrometers:
- Bruker AvanceII 600 MHz