BMRB Entry 16503
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16503
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Title: Ribonuclease A in 40% acetic acid and 8M urea pH 2 PubMed: 20085318
Deposition date: 2009-09-18 Original release date: 2010-01-26
Authors: L pez Alonso, Jorge; Bruix, Marta; Laurents, Douglas
Citation: Lopez-Alonso, Jorge Pedro; Bruix, Marta; Font, Josep; Ribo, Marc; Vilanova, Maria; Jimenez, Maria Angeles; Santoro, Jorge; Gonzalez, Carlos; Laurents, Douglas. "NMR spectroscopy reveals that RNase A is chiefly denatured in 40% acetic acid: implications for oligomer formation by 3D domain swapping." J. Am. Chem. Soc. 132, 1621-1630 (2010).
Assembly members:
RNase_A, polymer, 124 residues, 13684 Da.
Natural source: Common Name: cow Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
RNase_A: KETAAAKFERQHMDSSTSAA
SSSNYCNQMMKSRNLTKDRC
KPVNTFVHESLADVQAVCSQ
KNVACKNGQTNCYQSYSTMS
ITDCRETGSSKYPNCAYKTT
QANKHIIVACEGNPYVPVHF
DASV
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 602 |
15N chemical shifts | 229 |
1H chemical shifts | 351 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | RNase A | 1 |
Entities:
Entity 1, RNase A 124 residues - 13684 Da.
1 | LYS | GLU | THR | ALA | ALA | ALA | LYS | PHE | GLU | ARG | ||||
2 | GLN | HIS | MET | ASP | SER | SER | THR | SER | ALA | ALA | ||||
3 | SER | SER | SER | ASN | TYR | CYS | ASN | GLN | MET | MET | ||||
4 | LYS | SER | ARG | ASN | LEU | THR | LYS | ASP | ARG | CYS | ||||
5 | LYS | PRO | VAL | ASN | THR | PHE | VAL | HIS | GLU | SER | ||||
6 | LEU | ALA | ASP | VAL | GLN | ALA | VAL | CYS | SER | GLN | ||||
7 | LYS | ASN | VAL | ALA | CYS | LYS | ASN | GLY | GLN | THR | ||||
8 | ASN | CYS | TYR | GLN | SER | TYR | SER | THR | MET | SER | ||||
9 | ILE | THR | ASP | CYS | ARG | GLU | THR | GLY | SER | SER | ||||
10 | LYS | TYR | PRO | ASN | CYS | ALA | TYR | LYS | THR | THR | ||||
11 | GLN | ALA | ASN | LYS | HIS | ILE | ILE | VAL | ALA | CYS | ||||
12 | GLU | GLY | ASN | PRO | TYR | VAL | PRO | VAL | HIS | PHE | ||||
13 | ASP | ALA | SER | VAL |
Samples:
sample_1: RNase A, [U-13C], 1.7 mM; acetic acid 40%; H2O 50%; D2O 10%
sample_2: RNase A, [U-100% 13C; U-100% 15N], 1.7 mM; D2O 10%; urea 8 M
sample_conditions_1: ionic strength: 0.024 M; pH: 2; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 0.005 M; pH: 2.5; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HNCA | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
3D HN(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
1H-15N HSQC side chain filtered | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
TOPSPIN, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
BMRB | 1072 16010 16011 16742 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 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts