BMRB Entry 25429
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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/BMR25429
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Title: 42-Residue Beta Amyloid Fibril
Deposition date: 2015-01-14 Original release date: 2015-05-04
Authors: Xiao, Yiling; Ma, Buyong; McElheny, Dan; Parthasarathy, Sudhakar; Long, Fei; Hoshi, Minako; Nussinov, Ruth; Ishii, Yoshitaka
Citation: Xiao, Yiling; Ma, Buyong; McElheny, Dan; Parthasarathy, Sudhakar; Long, Fei; Hoshi, Minako; Nussinov, Ruth; Ishii, Yoshitaka. "A (1-42) Fibril Structure Illuminates Self-recognition and Replication Machinery of Amyloid in Alzheimer's" Nat. Struct. Biol. ., .-..
Assembly members:
entity, polymer, 42 residues, 3339.934 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity: DAEFRHDSGYEVHHQKLVFF
AEDVGSNKGAIIGLMVGGVV
IA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 78 |
| 15N chemical shifts | 25 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 1 |
| 3 | entity_3 | 1 |
| 4 | entity_4 | 1 |
| 5 | entity_5 | 1 |
| 6 | entity_6 | 1 |
| 7 | entity_7 | 1 |
| 8 | entity_8 | 1 |
| 9 | entity_9 | 1 |
| 10 | entity_10 | 1 |
| 11 | entity_11 | 1 |
| 12 | entity_12 | 1 |
Entities:
Entity 1, entity_1 42 residues - 3339.934 Da.
| 1 | ASP | ALA | GLU | PHE | ARG | HIS | ASP | SER | GLY | TYR | ||||
| 2 | GLU | VAL | HIS | HIS | GLN | LYS | LEU | VAL | PHE | PHE | ||||
| 3 | ALA | GLU | ASP | VAL | GLY | SER | ASN | LYS | GLY | ALA | ||||
| 4 | ILE | ILE | GLY | LEU | MET | VAL | GLY | GLY | VAL | VAL | ||||
| 5 | ILE | ALA |
Samples:
sample_1: AB42, [U-100% 13C; U-100% 15N], 50 uM; sodium phosphate 10 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 13C-13C DARR (50 ms) | sample_1 | solid | sample_conditions_1 |
| 2D 13C-13C DARR (200 ms) | sample_1 | solid | sample_conditions_1 |
| 2D 13C-15N correlation | sample_1 | solid | sample_conditions_1 |
| 1D 13C-13C fpRFDR-CT | sample_1 | solid | sample_conditions_1 |
| 1D 13C-15N REDOR | sample_1 | solid | sample_conditions_1 |
Software:
CYANA v2.1 - chemical shift assignment
NMR spectrometers:
- Bruker Avance 400 MHz
- Varian UnityPlus 400 MHz
Related Database Links:
| BMRB | 11435 15775 17159 17186 17764 17793 17794 17795 17796 18052 18127 18128 18129 18131 19009 19309 19393 25218 25289 26508 26516 |
| PDB | |
| DBJ | BAA22264 BAA84580 BAB71958 BAD51938 BAE01907 |
| EMBL | CAA30050 CAA31830 CAA39589 CAA39590 CAA39591 |
| GB | AAA35540 AAA36829 AAA51564 AAA51722 AAA51726 |
| PIR | A60045 D60045 E60045 G60045 PQ0438 |
| PRF | 1303338A 1403400A 1405204A 1507304A 1507304B |
| REF | NP_000475 NP_001006601 NP_001013036 NP_001070264 NP_001127014 |
| SP | P05067 P53601 P79307 P86906 Q28053 |
| TPG | DAA33655 |