BMRB Entry 4587
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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/BMR4587
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Title: NMR STRUCTURAL DETERMINATION OF VISCOTOXIN A3 FROM VISCUM ALBUM L. PubMed: 10947973
Deposition date: 2000-05-05 Original release date: 2000-12-29
Authors: Ugolini, R.; Fogolari, F.; Schaller, G.; Urech, K.; Giannattasio, M.; Ragona, L.; Molinari, H.
Citation: Romagnoli, Silvia; Ugolini, Raffaella; Fogolari, Federico; Schaller, Gerhard; Urech, Konrad; Giannattasio, Matteo; Ragona, Laura; Molinari, Henriette. "NMR structural determination of viscotoxin A3 from Viscum album L" Biochem. J. 350, 569-577 (2000).
Assembly members:
Viscotoxin A3, polymer, 46 residues, Formula weight is not available
Natural source: Common Name: European mistletoe Taxonomy ID: 3972 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Viscum album
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
Viscotoxin A3: KSCCPNTTGRNIYNACRLTG
APRPTCAKLSGCKIISGSTC
PSDYPK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 308 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Viscotoxin A3 | 1 |
Entities:
Entity 1, Viscotoxin A3 46 residues - Formula weight is not available
| 1 | LYS | SER | CYS | CYS | PRO | ASN | THR | THR | GLY | ARG | ||||
| 2 | ASN | ILE | TYR | ASN | ALA | CYS | ARG | LEU | THR | GLY | ||||
| 3 | ALA | PRO | ARG | PRO | THR | CYS | ALA | LYS | LEU | SER | ||||
| 4 | GLY | CYS | LYS | ILE | ILE | SER | GLY | SER | THR | CYS | ||||
| 5 | PRO | SER | ASP | TYR | PRO | LYS |
Samples:
sample_1: Viscotoxin A31.0 – 2.0 mM; H3PO4/NaOH aqueous buffer 50 mM; H2O 90%; D2O 10%
sample_2: Viscotoxin A31.0 – 2.0 mM; H3PO4/NaOH aqueous buffer 50 mM; D2O 100%
sample_cond_1: ionic strength: 50 mM; pH: 3.6; pressure: 1 atm; temperature: 285 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| DQF-COSY | not available | not available | not available |
| TOCSY | not available | not available | not available |
Software:
DYANA v1.4 - solution structure calculation
DISCOVER v98 - refinement
xwinnmr v1.2 - collection
XEASY v1.2 - data analysis
NMR spectrometers:
- Bruker DRX 500 MHz