BMRB Entry 16469
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16469
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Citation: Schmidt, Jurgen; Lohr, Frank. "Refinement of Protein Tertiary Structure by Using Spin-Spin Coupling Constants from Nuclear Magnetic Resonance Measurements" Protein Structure. (2012).
Assembly members:
RNase_T1, polymer, 104 residues, 11089.3 Da.
Natural source: Common Name: Aspergillus oryzae Taxonomy ID: 5062 Superkingdom: Eukaryota Kingdom: not available Genus/species: Aspergillus oryzae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pA2T1
Entity Sequences (FASTA):
RNase_T1: ACDYTCGSNCYSSSDVSTAQ
AAGYKLHEDGETVGSNSYPH
KYNNYEGFDFSVSSPYYEWP
ILSSGDVYSGGSPGADRVVF
NENNQLAGVITHTGASGNNF
VECT
| Data type | Count |
| coupling constants | 512 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Ribonuclease T1 | 1 |
Entities:
Entity 1, Ribonuclease T1 104 residues - 11089.3 Da.
| 1 | ALA | CYS | ASP | TYR | THR | CYS | GLY | SER | ASN | CYS | ||||
| 2 | TYR | SER | SER | SER | ASP | VAL | SER | THR | ALA | GLN | ||||
| 3 | ALA | ALA | GLY | TYR | LYS | LEU | HIS | GLU | ASP | GLY | ||||
| 4 | GLU | THR | VAL | GLY | SER | ASN | SER | TYR | PRO | HIS | ||||
| 5 | LYS | TYR | ASN | ASN | TYR | GLU | GLY | PHE | ASP | PHE | ||||
| 6 | SER | VAL | SER | SER | PRO | TYR | TYR | GLU | TRP | PRO | ||||
| 7 | ILE | LEU | SER | SER | GLY | ASP | VAL | TYR | SER | GLY | ||||
| 8 | GLY | SER | PRO | GLY | ALA | ASP | ARG | VAL | VAL | PHE | ||||
| 9 | ASN | GLU | ASN | ASN | GLN | LEU | ALA | GLY | VAL | ILE | ||||
| 10 | THR | HIS | THR | GLY | ALA | SER | GLY | ASN | ASN | PHE | ||||
| 11 | VAL | GLU | CYS | THR |
Samples:
sample_1: RNase_T1, [U-95% 13C; U-95% 15N], 2 mM; D2O, [U-2H], 10%; H2O 90%
sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D-HA[HB,HN](CACO)NH quantitative J correlation | sample_1 | isotropic | sample_conditions_1 |
| 3D-[15N,1H]-TROSY-(H)CANNH[CO]-E.COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D-heteronuclear relayed E.COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D-[15N,1H]-TROSY-HNCA[CO]-E.COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D-[15N,1H]-TROSY-HNCA[CB]-E.COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D-[15N,1H]-TROSY-HNCB quantitative J correlation | sample_1 | isotropic | sample_conditions_1 |
| 3D-H(N)CA,CO[HA]-E.COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D-H(N)CA,CO[CO]-E.COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D-[15N,1H]-TROSY-HN(CO)CO quantitative J correlation | sample_1 | isotropic | sample_conditions_1 |
| 3D-H(N)CA,CO[CB]-E.COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D-HN(CO)CB quantitative J correlation | sample_1 | isotropic | sample_conditions_1 |
| 3D-H(N)CO,CA[CA]-E.COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
xwinnmr, Bruker Biospin - collection, processing
jeval, JM Schmidt - coupling constant extraction, data analysis, multiplet simulation
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker DRX 500 MHz
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
- Bruker Avance 900 MHz