BMRB Entry 31123
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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/BMR31123
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Title: Solution structure of a 12-mer peptide bearing a bicyclic Asx motif mimic (BAMM) as a synthetic N-cap PubMed: 38760359
Deposition date: 2023-10-31 Original release date: 2024-05-30
Authors: Mi, T.; Burgess, K.
Citation: Mi, Tianxiong; Nguyen, Duyen; Gao, Zhe; Burgess, Kevin. "Bioinformatics leading to conveniently accessible, helix enforcing, bicyclic ASX motif mimics (BAMMs)" Nat. Commun. 15, 4217-4217 (2024).
Assembly members:
entity_1, polymer, 13 residues, 1182.396 Da.
entity_2, non-polymer, 356.880 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: synthetic construct
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: WCDAACCAAAKAX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 79 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 2 |
Entities:
Entity 1, unit_1 13 residues - 1182.396 Da.
| 1 | TRP | CYS | ASP | ALA | ALA | CYS | CYS | ALA | ALA | ALA | ||||
| 2 | LYS | ALA | NH2 |
Entity 2, unit_2 - 356.880 Da.
| 1 | ZBR |
Samples:
sample_1: Ncap-12-mer 5 mM
sample_conditions_1: pH: 5; pressure: 1 bar; temperature: 306 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D | sample_1 | isotropic | sample_conditions_1 |
| 2D COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D ROESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - chemical shift assignment, peak picking
MacroModel, SCHRODINGER - structure calculation
NMR spectrometers:
- Bruker AVANCE 500 MHz