BMRB Entry 18085
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18085
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Jung, Sascha; Tasiemski, Aurelie; Leippe, Matthias; Hecht, Oliver; Soennichsen, Frank; Groetzinger, Joachim. "Structure of Alvinellacin" .
Assembly members:
entity, polymer, 22 residues, 2611.172 Da.
Natural source: Common Name: Segmented worms Taxonomy ID: 6376 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Alvinella pompejana
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity: RGCYTRCWKVGRNGRVCMRV
CT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 95 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Alvinellacin | 1 |
Entities:
Entity 1, Alvinellacin 22 residues - 2611.172 Da.
| 1 | ARG | GLY | CYS | TYR | THR | ARG | CYS | TRP | LYS | VAL | ||||
| 2 | GLY | ARG | ASN | GLY | ARG | VAL | CYS | MET | ARG | VAL | ||||
| 3 | CYS | THR |
Samples:
sample_1: Alvinellacin 2 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 2.8; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz