BMRB Entry 19929
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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/BMR19929
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Title: HP24stab derived from the villin headpiece subdomain
Deposition date: 2014-04-23 Original release date: 2015-02-16
Authors: Hocking, Henry; Haese, F.; Madl, T.; Zacharias, M.; Rief, M.; Zoldak, G.
Citation: Hocking, Henry; Haese, F.; Madl, T.; Zacharias, M.; Rief, M.; Zoldak, G.. "A new minimal native-like compact supersecondary substructure HP24stab derived from the villin headpiece subdomain" To Be Published ., .-..
Assembly members:
VILLIN-1, polymer, 26 residues, 2853.4511 Da.
Natural source: Common Name: chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
VILLIN-1: XMTRSAFANLPLWKQQALMK
EKGLFX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 79 |
| 15N chemical shifts | 24 |
| 1H chemical shifts | 173 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | VILLIN-1 | 1 |
Entities:
Entity 1, VILLIN-1 26 residues - 2853.4511 Da.
| 1 | ACE | MET | THR | ARG | SER | ALA | PHE | ALA | ASN | LEU | ||||
| 2 | PRO | LEU | TRP | LYS | GLN | GLN | ALA | LEU | MET | LYS | ||||
| 3 | GLU | LYS | GLY | LEU | PHE | NH2 |
Samples:
sample_1: VILLIN-1, [U-13C; U-15N], 3 mM
sample_conditions_1: ionic strength: 50.000 mM; pH: 7.500; pressure: 1 atm; temperature: 288.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample_1 | solution | sample_conditions_1 |
| TOCSY | sample_1 | solution | sample_conditions_1 |
Software:
AutoDep v4.3, PDBe - chemical shift assignment
CNS vany, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment
CYANA vany, Guntert, Mumenthaler and Wuthrich - chemical shift assignment
NMR spectrometers:
- Bruker Avance 500 MHz
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SPARKY: Backbone
or all simulated shifts