BMRB Entry 20074
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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/BMR20074
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Title: Protein Fibril PubMed: 19130518
Deposition date: 2009-02-05 Original release date: 2009-02-10
Authors: Nielsen, Jakob; Bjerring, Morten; Jeppesen, Martin; Pedersen, Ronnie; Pedersen, Jan; Hein, Kim; Vosegaard, Thomas; Skrydstrup, Troels; Otzen, Daniel; Nielsen, Niels Christian
Citation: Nielsen, Jakob; Bjerring, Morten; Jeppesen, Martin; Pedersen, Ronnie; Pedersen, Jan; Hein, Kim; Vosegaard, Thomas; Skrydstrup, Troels; Otzen, Daniel; Nielsen, Niels Christian. "Unique Identification of Supramolecular Structures in Amyloid Fibrils by Solid-State NMR Spectroscopy" Angew. Chem. Int. Ed. Engl. 48, 2118-2121 (2009).
Assembly members:
NFGAILchain, polymer, 10 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
NFGAILchain: SNNFGAILSS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 120 |
| 15N chemical shifts | 24 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | subunit A1 peptide 1 | 1 |
| 2 | subunit A2 peptide 1 | 1 |
| 3 | subunit B1 peptide 1 | 1 |
| 4 | subunit B2 peptide 1 | 1 |
| 5 | subunit A1 peptide 2 | 1 |
| 6 | subunit A2 peptide 2 | 1 |
| 7 | subunit B1 peptide 2 | 1 |
| 8 | subunit B2 peptide 2 | 1 |
Entities:
Entity 1, subunit A1 peptide 1 10 residues - Formula weight is not available
NFGAILS is part of the decapeptide SNNFGAILSS, but structure data is only provided for the NFGAILS segment
| 1 | SER | ASN | ASN | PHE | GLY | ALA | ILE | LEU | SER | SER |
Samples:
SNNFGAILSS_U_13C_15N-_labeled_for_NFGAIL: NFGAIL, [U-100% 13C; U-100% 15N], 2.5 mg; H2O%; HEPES mM
sample_conditions_1: pH: 7.2; temperature: 263 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NCA | SNNFGAILSS_U_13C_15N-_labeled_for_NFGAIL | solid | sample_conditions_1 |
| NCO | SNNFGAILSS_U_13C_15N-_labeled_for_NFGAIL | solid | sample_conditions_1 |
| 2D 13C-13C DARR 2.5 ms mixing | SNNFGAILSS_U_13C_15N-_labeled_for_NFGAIL | solid | sample_conditions_1 |
| 2D 13C-13C DARR 5 ms mixing | SNNFGAILSS_U_13C_15N-_labeled_for_NFGAIL | solid | sample_conditions_1 |
| 2D 13C-13C DARR 20 ms mixing | SNNFGAILSS_U_13C_15N-_labeled_for_NFGAIL | solid | sample_conditions_1 |
| 2D 13C-13C DARR 40 ms mixing | SNNFGAILSS_U_13C_15N-_labeled_for_NFGAIL | solid | sample_conditions_1 |
| 2D 13C-13C DARR 100 ms mixing | SNNFGAILSS_U_13C_15N-_labeled_for_NFGAIL | solid | sample_conditions_1 |
| 2D 13C-13C DARR 200 ms mixing | SNNFGAILSS_U_13C_15N-_labeled_for_NFGAIL | solid | sample_conditions_1 |
Software:
X-PLOR NIH v2.18, Schwieters, Kuszewski, Tjandra and Clore - geometry optimization
NMR spectrometers:
- Bruker Avance 700 MHz