BMRB Entry 7012
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR7012
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Title: Solution structure of 55-72 segment of staphylococcal nuclease PubMed: 16767771
Deposition date: 2006-02-28 Original release date: 2007-11-16
Authors: Wang, M.; Shan, L.; Wang, J.
Citation: Wang, M.; Shan, L.; Wang, J.. "Two peptide fragments G55-I72 and K97-A109 from staphylococcal nuclease exhibit different behaviors in conformational preferences for helix formation" Biopolymers 83, 268-279 (2006).
Assembly members:
18-mer peptide from Thermonuclease (E.C.3.1.31.1), polymer, 18 residues, Formula weight is not available
Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Eubacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
18-mer peptide from Thermonuclease (E.C.3.1.31.1): GPEASAFTKKMVENAKKI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 57 |
| 1H chemical shifts | 108 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | 18-mer peptide from Thermonuclease | 1 |
Entities:
Entity 1, 18-mer peptide from Thermonuclease 18 residues - Formula weight is not available
| 1 | GLY | PRO | GLU | ALA | SER | ALA | PHE | THR | LYS | LYS | ||||
| 2 | MET | VAL | GLU | ASN | ALA | LYS | LYS | ILE |
Samples:
sample_1: 18-mer peptide from Thermonuclease (E.C.3.1.31.1) 2.0 mM; DSS 0.02 mM; NaN3 0.01 mM; trifluoroethanol-d4 40%; H2O 60%
sample_cond_1: ionic strength: 0 M; pH: 5.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | not available | not available | not available |
| 2D TOCSY | not available | not available | not available |
| 2D ROESY | not available | not available | not available |
| 2D 13C HSQC | not available | not available | not available |
| 2D 13C HSQC-TOCSY | not available | not available | not available |
Software:
xwinnmr v3.5 - collection
FELIX v98 - data analysis
CNS v1.1 - structure solution, refinement
NMR spectrometers:
- Bruker DMX 600 MHz