BMRB Entry 11072
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR11072
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: The solution structure of the N-terminal fragment of big defensin PubMed: 19588912
Deposition date: 2009-04-13 Original release date: 2009-07-14
Authors: Kouno, Takahide; Mizuguchi, Mineyuki; Aizawa, Tomoyasu; Shinoda, Hiroyuki; Demura, Makoto; Kawabata, Shun-ichiro; Kawano, Keiichi
Citation: Kouno, Takahide; Mizuguchi, Mineyuki; Aizawa, Tomoyasu; Shinoda, Hiroyuki; Demura, Makoto; Kawabata, Shun-ichiro; Kawano, Keiichi. "A novel beta-defensin structure: big defensin changes its N-terminal structure to associate with the target membrane." Biochemistry 48, 7629-7635 (2009).
Assembly members:
A chain, polymer, 30 residues, Formula weight is not available
Natural source: Common Name: Japanese horseshoe crab Taxonomy ID: 6853 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Tachypleus tridentatus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
A chain: PAIYIGATVGPSVWAYLVAL
VGAAAVTAAN
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 195 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | A chain | 1 |
Entities:
Entity 1, A chain 30 residues - Formula weight is not available
| 1 | PRO | ALA | ILE | TYR | ILE | GLY | ALA | THR | VAL | GLY | |
| 2 | PRO | SER | VAL | TRP | ALA | TYR | LEU | VAL | ALA | LEU | |
| 3 | VAL | GLY | ALA | ALA | ALA | VAL | THR | ALA | ALA | ASN |
Samples:
sample_1: A chain0.30 – 0.35 mM; SDS, [U-99% 2H], 100 mM; acetic acid, [U-99% 2H], 50 mM; sodium chloride 20 mM; H2O 95%; D2O 5%
sample_2: A chain0.30 – 0.35 mM; SDS, [U-99% 2H], 100 mM; acetic acid, [U-99% 2H], 50 mM; sodium chloride 20 mM; D2O 100%
sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | 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 |
| 2D 1H-1H COSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
xwinnmr, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment, peak picking
X-PLOR, Brunger - structure solution
NMR spectrometers:
- Bruker Avance 800 MHz