BMRB Entry 30851
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30851
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Aspartimidylated omega ester peptide fuscimiditide PubMed: 35982233
Deposition date: 2021-01-27 Original release date: 2022-02-04
Authors: Link, A.; Elashal, H.
Citation: Elashal, Hader; Koos, Joseph; Cheung-Lee, Wai Ling; Choi, Brian; Cao, Li; Richardson, Michelle; White, Heather; Link, A James. "Biosynthesis and characterization of fuscimiditide, an aspartimidylated graspetide" Nat. Chem. 14, 1325-1334 (2022).
Assembly members:
entity_1, polymer, 22 residues, 2382.583 Da.
Natural source: Common Name: Thermobifida fusca Taxonomy ID: 269800 Superkingdom: Bacteria Kingdom: not available Genus/species: Thermobifida fusca
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: AGTMRVTYPDGQKPGQSDVE
KD
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 132 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 22 residues - 2382.583 Da.
| 1 | ALA | GLY | THR | MET | ARG | VAL | THR | TYR | PRO | ASP | ||||
| 2 | GLY | GLN | LYS | PRO | GLY | GLN | SER | ASP | VAL | GLU | ||||
| 3 | LYS | ASP |
Samples:
sample_1: fuscimiditide 3.3 mM
sample_conditions_1: ionic strength: 0 M; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | anisotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
MestreLab (Mnova / MestReNova / MestReC), Mestrelab Research - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AVANCE III 800 MHz