BMRB Entry 52114
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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/BMR52114
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NMR-STAR v3 text file.
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Title: thermostable WW domain basic scaffold to design functional b-sheet miniproteins PubMed: 38853610
Deposition date: 2023-09-07 Original release date: 2024-06-27
Authors: Kovermann, Michael
Citation: Lindner, Christina; Friemel, Anke; Schwegler, Niklas; Timmermann, Lisa; Pham, Truc Lam; Reusche, Vanessa; Kovermann, Michael; Thomas, Franziska. "Thermostable WW-Domain Scaffold to Design Functional beta-Sheet Miniproteins" J. Am. Chem. Soc. ., .-. (2024).
Assembly members:
entity_1, polymer, 34 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):
entity_1: PLPPGWEIRIESGSGRIYYY
NSITKTTTWERPRL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 123 |
| 15N chemical shifts | 32 |
| 1H chemical shifts | 248 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | b-sheet miniproteins | 1 |
Entities:
Entity 1, b-sheet miniproteins 34 residues - Formula weight is not available
| 1 | PRO | LEU | PRO | PRO | GLY | TRP | GLU | ILE | ARG | ILE | ||||
| 2 | GLU | SER | GLY | SER | GLY | ARG | ILE | TYR | TYR | TYR | ||||
| 3 | ASN | SER | ILE | THR | LYS | THR | THR | THR | TRP | GLU | ||||
| 4 | ARG | PRO | ARG | LEU |
Samples:
sample_1: cl033 1 mM; NaCl 137 mM; KCl 2.7 mM; Na2HPO4 10 mM; KH2PO4 1.8 mM
sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - chemical shift assignment, collection, data analysis, peak picking
ARIA - structure solution
NMR spectrometers:
- Bruker AVANCE III 600 MHz
- Bruker AVANCE NEO 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts