BMRB Entry 4974
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4974
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Title: Rapid Protein fold Determination using Secondary Chemical Shifts and Cross- hydrogen bond 15N-13C' Scalar Couplings (3hbJNC') PubMed: 11775739
Deposition date: 2001-03-19 Original release date: 2001-10-17
Authors: Bonvin, Alexandre; Houben, Klaartje; Guenneugues, Marc; Kaptein, Robert; Boelens, Rolf
Citation: Bonvin, Alexandre; Houben, Klaartje; Guenneugues, Marc; Kaptein, Robert; Boelens, Rolf. "Rapid Protein fold Determination using Secondary Chemical Shifts and Cross- hydrogen bond 15N-13C' Scalar Couplings (3hbJNC')" J. Biomol. NMR 21, 221-233 (2001).
Assembly members:
Chymotrypsin Inhibitor 2, polymer, 64 residues, Formula weight is not available
Natural source: Common Name: Barley Taxonomy ID: 4513 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Hordeum vulgare
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Chymotrypsin Inhibitor 2: LKTEWPELVGKSVEEAKKVI
LQDKPEAQIIVLPVGTIVTM
EYRIDRVRLFVDKLDNIAQV
VRVG
- assigned_chemical_shifts
Data type | Count |
1H chemical shifts | 489 |
13C chemical shifts | 269 |
15N chemical shifts | 69 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Chymotrypsin Inhibitor II | 1 |
Entities:
Entity 1, Chymotrypsin Inhibitor II 64 residues - Formula weight is not available
1 | LEU | LYS | THR | GLU | TRP | PRO | GLU | LEU | VAL | GLY | ||||
2 | LYS | SER | VAL | GLU | GLU | ALA | LYS | LYS | VAL | ILE | ||||
3 | LEU | GLN | ASP | LYS | PRO | GLU | ALA | GLN | ILE | ILE | ||||
4 | VAL | LEU | PRO | VAL | GLY | THR | ILE | VAL | THR | MET | ||||
5 | GLU | TYR | ARG | ILE | ASP | ARG | VAL | ARG | LEU | PHE | ||||
6 | VAL | ASP | LYS | LEU | ASP | ASN | ILE | ALA | GLN | VAL | ||||
7 | VAL | ARG | VAL | GLY |
Samples:
sample_1: Chymotrypsin Inhibitor 2, [U-15N; U-13C], 2 mM
Cond_1: pH: 4.6; temperature: 303 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|
Software:
No software information available
NMR spectrometers:
- Bruker DMX 600 MHz
- Bruker DMX 500 MHz
Related Database Links:
BMRB | 1869 1870 1871 1872 |
PDB | |
EMBL | CAA28988 |
GB | ABW71682 ABW71687 ABW71691 ABW71693 ABW71694 |
SP | P01053 |
AlphaFold | P01053 |
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