BMRB Entry 30227
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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/BMR30227
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Lee, Myungwoon; Wang, Tuo; Makhlynets, Olga; Wu, Yibing; Polizzi, Nicholas; Wu, Haifan; Gosavi, Pallavi; Stohr, Jan; Korendovych, Ivan; DeGrado, William; Hong, Mei. "Zinc-binding structure of a catalytic amyloid from solid-state NMR" Proc. Natl. Acad. Sci. U. S. A. 114, 6191-6196 (2017).
PubMed: 28566494
Assembly members:
entity_1, polymer, 7 residues, 861.042 Da.
entity_ZN, non-polymer, 65.409 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: IHVHLQI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 69 |
| 15N chemical shifts | 18 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, 1 | 1 |
| 2 | entity_1, 2 | 1 |
| 3 | entity_1, 3 | 1 |
| 4 | entity_1, 4 | 1 |
| 5 | entity_1, 5 | 1 |
| 6 | entity_1, 6 | 1 |
| 7 | entity_1, 7 | 1 |
| 8 | entity_1, 8 | 1 |
| 9 | entity_1, 9 | 1 |
| 10 | entity_1, 10 | 1 |
| 11 | entity_1, 11 | 1 |
| 12 | entity_1, 12 | 1 |
| 13 | entity_ZN, 1 | 2 |
| 14 | entity_ZN, 2 | 2 |
| 15 | entity_ZN, 3 | 2 |
| 16 | entity_ZN, 4 | 2 |
| 17 | entity_ZN, 5 | 2 |
| 18 | entity_ZN, 6 | 2 |
| 19 | entity_ZN, 7 | 2 |
| 20 | entity_ZN, 8 | 2 |
| 21 | entity_ZN, 9 | 2 |
| 22 | entity_ZN, 10 | 2 |
| 23 | entity_ZN, 11 | 2 |
| 24 | entity_ZN, 12 | 2 |
Entities:
Entity 1, entity_1, 1 7 residues - 861.042 Da.
| 1 | ILE | HIS | VAL | HIS | LEU | GLN | ILE |
Entity 2, entity_ZN, 1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: IVL, [U-13C; U-15N], 0.4 g/L
sample_2: mixed sample, [U-13C], 0.4 g/L
sample_conditions_1: ionic strength: 100 mM; pH: 8; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 13C-13C correlation spectra | sample_1 | isotropic | sample_conditions_1 |
| 2D 15N-13C correlation spectra | sample_1 | isotropic | sample_conditions_1 |
| REDOR | sample_1 | isotropic | sample_conditions_1 |
| 2D 13C-13C correlation spectra | sample_2 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
TALOS, Cornilescu, Delaglio and Bax - data analysis
TOPSPIN, Bruker Biospin - chemical shift assignment
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Bruker Bruker 800 MHz