BMRB Entry 51982
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51982
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Title: Chemical shifts for Amelotin (25-130) at 2 kbar PubMed: 37548612
Deposition date: 2023-05-28 Original release date: 2023-10-03
Authors: Chiliveri, Sai Chaitanya; Bax, Ad
Citation: Chiliveri, Sai Chaitanya; Shen, Yang; Baber, James; Ying, Jinfa; Sagar, Vatsala; Wistow, Graeme; Anfinrud, Philip; Bax, Ad. "Experimental NOE, Chemical Shift, and Proline Isomerization Data Provide Detailed Insights into Amelotin Oligomerization" J. Am. Chem. Soc. 145, 18063-18074 (2023).
Assembly members:
entity_1, polymer, 118 residues, Formula weight is not available
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 Vector: pET28a
Entity Sequences (FASTA):
entity_1: MNQQQSNQVFPSLSLIPLTQ
MLTLGPDLHLLNPAAGMTPG
TQTHPLTLGGLNVQQQLHPH
VLPIFVTQLGAQGTILSSEE
LPQIFTSLIIHSLFPGGILP
TSQAGANGSWGSHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 224 |
| 15N chemical shifts | 106 |
| 1H chemical shifts | 106 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Amelotin(25-130) | 1 |
Entities:
Entity 1, Amelotin(25-130) 118 residues - Formula weight is not available
| 1 | MET | ASN | GLN | GLN | GLN | SER | ASN | GLN | VAL | PHE | ||||
| 2 | PRO | SER | LEU | SER | LEU | ILE | PRO | LEU | THR | GLN | ||||
| 3 | MET | LEU | THR | LEU | GLY | PRO | ASP | LEU | HIS | LEU | ||||
| 4 | LEU | ASN | PRO | ALA | ALA | GLY | MET | THR | PRO | GLY | ||||
| 5 | THR | GLN | THR | HIS | PRO | LEU | THR | LEU | GLY | GLY | ||||
| 6 | LEU | ASN | VAL | GLN | GLN | GLN | LEU | HIS | PRO | HIS | ||||
| 7 | VAL | LEU | PRO | ILE | PHE | VAL | THR | GLN | LEU | GLY | ||||
| 8 | ALA | GLN | GLY | THR | ILE | LEU | SER | SER | GLU | GLU | ||||
| 9 | LEU | PRO | GLN | ILE | PHE | THR | SER | LEU | ILE | ILE | ||||
| 10 | HIS | SER | LEU | PHE | PRO | GLY | GLY | ILE | LEU | PRO | ||||
| 11 | THR | SER | GLN | ALA | GLY | ALA | ASN | GLY | SER | TRP | ||||
| 12 | GLY | SER | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: Amelotin(25-130), [U-13C; U-15N; U-2H], 50 uM; sodium acetate 30 mM; NaCl 70 mM
sample_conditions_1: ionic strength: 100 mM; pH: 4.6; pressure: 2000 bar; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3 - collection
NMRPipe - processing
SMILE - processing
CcpNMR - chemical shift assignment, data analysis
NMR spectrometers:
- Bruker AVANCE III 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts