BMRB Entry 5670
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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/BMR5670
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Milbradt, Alexander; Kerek, Franz; Moroder, Luis; Renner, Christian. "Structural Characterization of Hellethionins from helleborus purpurascens" Biochemistry 42, 2404-2411 (2003).
PubMed: 12600207
Assembly members:
Hellethionin D, polymer, 46 residues, Formula weight is not available
Natural source: Common Name: Helleborus purpurascens Taxonomy ID: 171899 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Helleborus purpurascens
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
Hellethionin D: KSCCRNTLARNCYNACRFTG
GSQPTCGILCDCIHVTTTTC
PSSHPS
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 291 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Hellethionin D | 1 |
Entities:
Entity 1, Hellethionin D 46 residues - Formula weight is not available
| 1 | LYS | SER | CYS | CYS | ARG | ASN | THR | LEU | ALA | ARG | ||||
| 2 | ASN | CYS | TYR | ASN | ALA | CYS | ARG | PHE | THR | GLY | ||||
| 3 | GLY | SER | GLN | PRO | THR | CYS | GLY | ILE | LEU | CYS | ||||
| 4 | ASP | CYS | ILE | HIS | VAL | THR | THR | THR | THR | CYS | ||||
| 5 | PRO | SER | SER | HIS | PRO | SER |
Samples:
sample_1: Hellethionin D 3.0 mM
sample_2: Hellethionin D 5.0 mM
cond_1: pH: 2.5; temperature: 293 K
cond_2: pH: 2.5; temperature: 283 K
cond_3: pH: 2.5; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-1H NOESY | not available | not available | not available |
| 1H-1H TOCSY | not available | not available | not available |
| 1H-1H COSY | not available | not available | not available |
Software:
XWINNMR v3.0 - data acquisition, data processing
INSIGHT v98 - structure calculation
Sparky v3 - peak assignment
MOLMOL - visualization
PROCHECK - checking the quality of the protein structure
NMR spectrometers:
- Bruker DRX 500 MHz
- Bruker DRX 600 MHz
- Bruker DMX 750 MHz