BMRB Entry 25367
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25367
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Title: Chemical Shifts of the designed Armadillo Repeat Protein YMRRA PubMed: 25816772
Deposition date: 2014-11-26 Original release date: 2015-06-04
Authors: Ewald, Christina; Zerbe, Oliver
Citation: Ewald, Christina; Christen, Martin; Watson, Randall; Mihajlovic, Maja; Zhou, Ting; Honegger, Annemarie; Plueckthun, Andreas; Caflisch, Amedeo; Zerbe, Oliver. "A combined NMR and computational approach to investigate Peptide binding to a designed armadillo repeat protein" J. Mol. Biol. 427, 1916-1933 (2015).
Assembly members:
YMRRA, polymer, 211 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: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
YMRRA: MRGSHHHHHHGSELPQMTQQ
LNSDDMQEQLSATVKFRQIL
SRDGNEQIQAVIDAGALPAL
VQLLSSPNEQILQEALWALS
NIASGGNEQTQAVIDAGALP
ALVQLLSSPNEQILQYALIA
LNNIAFAGNEQTQAVIDAGA
LPALVQLLSSPNGQILQETL
WALTNIAMEGNEQKQAVKEA
GALEKLEQLQSHENEKIQKE
AQEALEKLQSH
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 445 |
15N chemical shifts | 160 |
1H chemical shifts | 160 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | YMRRA | 1 |
Entities:
Entity 1, YMRRA 211 residues - Formula weight is not available
Residues 1-12 represent a non-native affifity tag for purification.
1 | MET | ARG | GLY | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
2 | GLY | SER | GLU | LEU | PRO | GLN | MET | THR | GLN | GLN | ||||
3 | LEU | ASN | SER | ASP | ASP | MET | GLN | GLU | GLN | LEU | ||||
4 | SER | ALA | THR | VAL | LYS | PHE | ARG | GLN | ILE | LEU | ||||
5 | SER | ARG | ASP | GLY | ASN | GLU | GLN | ILE | GLN | ALA | ||||
6 | VAL | ILE | ASP | ALA | GLY | ALA | LEU | PRO | ALA | LEU | ||||
7 | VAL | GLN | LEU | LEU | SER | SER | PRO | ASN | GLU | GLN | ||||
8 | ILE | LEU | GLN | GLU | ALA | LEU | TRP | ALA | LEU | SER | ||||
9 | ASN | ILE | ALA | SER | GLY | GLY | ASN | GLU | GLN | THR | ||||
10 | GLN | ALA | VAL | ILE | ASP | ALA | GLY | ALA | LEU | PRO | ||||
11 | ALA | LEU | VAL | GLN | LEU | LEU | SER | SER | PRO | ASN | ||||
12 | GLU | GLN | ILE | LEU | GLN | TYR | ALA | LEU | ILE | ALA | ||||
13 | LEU | ASN | ASN | ILE | ALA | PHE | ALA | GLY | ASN | GLU | ||||
14 | GLN | THR | GLN | ALA | VAL | ILE | ASP | ALA | GLY | ALA | ||||
15 | LEU | PRO | ALA | LEU | VAL | GLN | LEU | LEU | SER | SER | ||||
16 | PRO | ASN | GLY | GLN | ILE | LEU | GLN | GLU | THR | LEU | ||||
17 | TRP | ALA | LEU | THR | ASN | ILE | ALA | MET | GLU | GLY | ||||
18 | ASN | GLU | GLN | LYS | GLN | ALA | VAL | LYS | GLU | ALA | ||||
19 | GLY | ALA | LEU | GLU | LYS | LEU | GLU | GLN | LEU | GLN | ||||
20 | SER | HIS | GLU | ASN | GLU | LYS | ILE | GLN | LYS | GLU | ||||
21 | ALA | GLN | GLU | ALA | LEU | GLU | LYS | LEU | GLN | SER | ||||
22 | HIS |
Samples:
sample_1: YMRRA, [U-13C; U-15N; U-2H], 800 uM; NaCl 150 mM; Na-phosphate 50 mM; glycerol 2%
sample_conditions_1: ionic strength: 0.425 M; pH: 7.4; pressure: 1 atm; temperature: 307 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
HN(CACO)NNH | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA v1.9, Keller and Wuthrich - chemical shift assignment
NMR spectrometers:
- Bruker Avance 700 MHz
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts