BMRB Entry 25673
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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/BMR25673
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Title: NMR structure for a 3-stranded parallel beta-sheet PubMed: 26457984
Deposition date: 2015-06-24 Original release date: 2015-10-26
Authors: Kung, Vanessa
Citation: Kung, Vanessa; Cornilescu, Gabriel; Gellman, Samuel. "Impact of Strand Number on Parallel beta-Sheet Stability" Angew. Chem. Int. Ed. Engl. 54, 14336-14339 (2015).
Assembly members:
entity_1, polymer, 25 residues, 2629.136 Da.
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):
entity_1: XERFYEKXXVQKFIRVXGVT
IREKX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 172 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 25 residues - 2629.136 Da.
| 1 | ACE | GLU | ARG | PHE | TYR | GLU | LYS | 4G6 | DPR | VAL | ||||
| 2 | GLN | LYS | PHE | ILE | ARG | VAL | 4FU | GLY | VAL | THR | ||||
| 3 | ILE | ARG | GLU | LYS | NH2 |
Samples:
sample_1: entity_1 2 mM; acetic acid 2.5 mM
sample_conditions_1: pH: 3.8; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H ROESY | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR_NIH v2.35, Schwieters, Kuszewski, Tjandra and Clore - structure solution
NMR spectrometers:
- Varian INOVA 600 MHz