BMRB Entry 16742
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16742
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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for Unfolded Bovine Pancreatic Ribonuclease A PubMed: 20600112
Deposition date: 2010-02-21 Original release date: 2012-08-03
Authors: Azeroual, Simon; Dabrowski, Christian; Denisov, Alexey; Gehring, Kalle
Citation: Kozlov, Guennadi; Azeroual, Simon; Rosenauer, Angelika; Maattanen, Pekka; Denisov, Alexey Yu; Thomas, David; Gehring, Kalle. "Structure of the catalytic a(0)a fragment of the protein disulfide isomerase ERp72." J. Mol. Biol. 401, 618-625 (2010).
Assembly members:
Ribonuclease A, polymer, 126 residues, Formula weight is not available
Natural source: Common Name: cattle Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET22B(+)
Entity Sequences (FASTA):
Ribonuclease A: MAKETAAAKFERQHMDSSTS
AASSSNYCNQMMKSRNLTKD
RCKPVNTFVHESLADVQAVC
SQKNVACKNGQTNCYQSYST
MSITDCRETGSSKYPNCAYK
TTQANKHIIVACEGNPYVPV
HFDASV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 213 |
| 15N chemical shifts | 108 |
| 1H chemical shifts | 108 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Ribonuclease A | 1 |
Entities:
Entity 1, Ribonuclease A 126 residues - Formula weight is not available
| 1 | MET | ALA | LYS | GLU | THR | ALA | ALA | ALA | LYS | PHE | ||||
| 2 | GLU | ARG | GLN | HIS | MET | ASP | SER | SER | THR | SER | ||||
| 3 | ALA | ALA | SER | SER | SER | ASN | TYR | CYS | ASN | GLN | ||||
| 4 | MET | MET | LYS | SER | ARG | ASN | LEU | THR | LYS | ASP | ||||
| 5 | ARG | CYS | LYS | PRO | VAL | ASN | THR | PHE | VAL | HIS | ||||
| 6 | GLU | SER | LEU | ALA | ASP | VAL | GLN | ALA | VAL | CYS | ||||
| 7 | SER | GLN | LYS | ASN | VAL | ALA | CYS | LYS | ASN | GLY | ||||
| 8 | GLN | THR | ASN | CYS | TYR | GLN | SER | TYR | SER | THR | ||||
| 9 | MET | SER | ILE | THR | ASP | CYS | ARG | GLU | THR | GLY | ||||
| 10 | SER | SER | LYS | TYR | PRO | ASN | CYS | ALA | TYR | LYS | ||||
| 11 | THR | THR | GLN | ALA | ASN | LYS | HIS | ILE | ILE | VAL | ||||
| 12 | ALA | CYS | GLU | GLY | ASN | PRO | TYR | VAL | PRO | VAL | ||||
| 13 | HIS | PHE | ASP | ALA | SER | VAL |
Samples:
sample_1: Bovine Pancreatic Ribonuclease A, [U-100% 13C; U-100% 15N], 0.2 mM; MES, nautral abundance, 25 mM; NaCl, nautral abundance, 70 mM; DTT, nautral abundance, 10 mM; EDTA, nautral abundance, 0.5 mM; H2O, nautral abundance, 90%; D2O, nautral abundance, 10%
sample_conditions_1: ionic strength: 70 mM; pH: 5.5; pressure: 1 atm; temperature: 313.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
XEASY, Bartels et al. - chemical shift assignment, peak picking
NMR spectrometers:
- Varian INOVA 800 MHz
Related Database Links:
| BMRB | 1072 16010 16011 16503 17099 17172 19065 2928 385 4031 4032 443 |
| PDB | |
| EMBL | CAA30263 CAA33801 CAB37066 |
| GB | AAA72269 AAA72757 AAB35594 AAB36134 AAI49530 |
| PIR | JC5560 NRBOB |
| PRF | 630436A |
| REF | NP_001014408 XP_005211519 XP_005901936 XP_010837737 |
| SP | P61823 P61824 |
| TPE | CDG32088 |
| TPG | DAA25470 |
| AlphaFold | P61824 P61823 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts