BMRB Entry 17718
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17718
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Title: Hydrogen Exchange in Unligated and Ligated Straphlococcal Nuclease PubMed: 8218167
Deposition date: 2011-06-17 Original release date: 2012-01-24
Authors: Markley, John; Loh, Stewart; Prehoda, Kenneth; Wang, Jinfeng
Citation: Markley, John; Loh, Stewart; Prehoda, Kenneth; Wang, Jinfeng. "Hydrogen exchange in unligated and ligated staphylococcal nuclease" Biochemistry 32, 11022-11028 (1993).
Assembly members:
Staphylococcal_nuclease, polymer, 149 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.
THYMIDINE-3',5'-DIPHOSPHATE, non-polymer, 402.188 Da.
Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Staphylococcal_nuclease: ATSTKKLHKEPATLIKAIDG
DTVKLMYKGQPMTFRLLLVD
TPETKHPKKGVEKYGPEASA
FTKKMVENAKKIEVEFDKGQ
RTDKYGRGLAYIYADGKMVN
EALVRQGLAKVAYVYKPNNT
HEQLLRKSEAQAKKEKLNIW
SEDNADSGQ
- assigned_chemical_shifts
- H_exch_rates
| Data type | Count |
| H exchange rates | 115 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Staphylococcal_nuclease | 1 |
| 2 | Calcium ion | 2 |
| 3 | pdTp | 3 |
Entities:
Entity 1, Staphylococcal_nuclease 149 residues - Formula weight is not available
| 1 | ALA | THR | SER | THR | LYS | LYS | LEU | HIS | LYS | GLU | ||||
| 2 | PRO | ALA | THR | LEU | ILE | LYS | ALA | ILE | ASP | GLY | ||||
| 3 | ASP | THR | VAL | LYS | LEU | MET | TYR | LYS | GLY | GLN | ||||
| 4 | PRO | MET | THR | PHE | ARG | LEU | LEU | LEU | VAL | ASP | ||||
| 5 | THR | PRO | GLU | THR | LYS | HIS | PRO | LYS | LYS | GLY | ||||
| 6 | VAL | GLU | LYS | TYR | GLY | PRO | GLU | ALA | SER | ALA | ||||
| 7 | PHE | THR | LYS | LYS | MET | VAL | GLU | ASN | ALA | LYS | ||||
| 8 | LYS | ILE | GLU | VAL | GLU | PHE | ASP | LYS | GLY | GLN | ||||
| 9 | ARG | THR | ASP | LYS | TYR | GLY | ARG | GLY | LEU | ALA | ||||
| 10 | TYR | ILE | TYR | ALA | ASP | GLY | LYS | MET | VAL | ASN | ||||
| 11 | GLU | ALA | LEU | VAL | ARG | GLN | GLY | LEU | ALA | LYS | ||||
| 12 | VAL | ALA | TYR | VAL | TYR | LYS | PRO | ASN | ASN | THR | ||||
| 13 | HIS | GLU | GLN | LEU | LEU | ARG | LYS | SER | GLU | ALA | ||||
| 14 | GLN | ALA | LYS | LYS | GLU | LYS | LEU | ASN | ILE | TRP | ||||
| 15 | SER | GLU | ASP | ASN | ALA | ASP | SER | GLY | GLN |
Entity 2, Calcium ion - Ca - 40.078 Da.
| 1 | CA |
Entity 3, pdTp - C10 H16 N2 O11 P2 - 402.188 Da.
| 1 | THP |
Samples:
sample_1: Staphylococcal_nuclease 3.0 mM; pdTp 9.0 mM; succinate-d4 50 mM; Calcium chloride 18 mM; H2O 100%
sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D HSMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
xwinnmr vAM500, Bruker - chemical shift assignment
NMR spectrometers:
- Bruker AM 500 MHz