BMRB Entry 26508
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26508
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Title: Transient small molecule interactions kinetically modulate amyloid b peptide self-assembly PubMed: 23058290
Deposition date: 2015-02-12 Original release date: 2015-02-24
Authors: Abelein, Axel; Lang, Lisa; Lendel, Christofer; Graslund, Astrid; Danielsson, Jens
Citation: Abelein, Axel; Lang, Lisa; Lendel, Christofer; Graslund, Astrid; Danielsson, Jens. "Transient small molecule interactions kinetically modulate amyloid b peptide self-assembly" FEBS Lett. 586, 3991-3995 (2012).
Assembly members:
amyloid_B, polymer, 40 residues, Formula weight is not available
(2Z)-7-amino-8-(2,4-dihydroxyphenyl)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-10H-phenoxazin-3-one, non-polymer, 428.39 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
amyloid_B: DAEFRHDSGYEVHHQKLVFF
AEDVGSNKGAIIGLMVGGVV
- assigned_chemical_shifts
- heteronucl_T2_relaxation
| Data type | Count |
| T2 relaxation values | 44 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | amyloid B | 1 |
| 2 | Lacmoid | 2 |
Entities:
Entity 1, amyloid B 40 residues - Formula weight is not available
| 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 |
Entity 2, Lacmoid - C24 H16 N2 O6 - 428.39 Da.
| 1 | lacmoid |
Samples:
sample_1: amyloid B, [U-100% 15N], 50 uM; NaOH 10 mM; sodium-phosphate buffer 10 mM; lacmoid 100 uM; H2O 90%; D2O 10%
sample_2: amyloid B, [U-100% 15N], 50 uM; NaOH 10 mM; sodium-phosphate buffer 10 mM; lacmoid 50 uM; H2O 90%; D2O 10%
sample_conditions_1: temperature: 276 K; pH: 7.4; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-15N HSQC 1 | sample_1 | isotropic | sample_conditions_1 |
| 1H-15N HSQC 2 | sample_2 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - data analysis
NMR spectrometers:
- Bruker Avance 700 MHz
Related Database Links:
| BMRB | 11435 15775 17159 17186 17764 17793 17794 17795 17796 18052 18127 18128 18129 18131 19009 19309 19393 25218 25289 25429 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 |