BMRB Entry 50345
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50345
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Fino, Roberto; Lenhart, Dominik; Kalel, Vishal; Softley, Charlotte; Napolitano, Valeria; Byrne, Ryan; Schliebs, Wolfgang; Dawidowski, Maciej; Erdmann, Ralf; Sattler, Michael; Schneider, Gisbert; Plettenburg, Oliver; Popowicz, Grzegorz. "Computer-Aided Design and Synthesis of a New Class of PEX14 Inhibitors: Substituted 2,3,4,5-Tetrahydrobenzo[F][1,4]oxazepines as Potential New Trypanocidal Agents" J. Chem. Inf. Model. 61, 5256-5268 (2021).
PubMed: 34597510
Assembly members:
entity_1, polymer, 70 residues, Formula weight is not available
Natural source: Common Name: Trypanosoma cruzi Taxonomy ID: 5693 Superkingdom: Eukaryota Kingdom: not available Genus/species: Trypanosoma cruzi
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: petM11
Entity Sequences (FASTA):
entity_1: GAMGYPEESEKRKRVSSAVQ
FLHDSRVKITPAANKIQFLK
SKGLTTEEVCEAFEKAGQTI
PLDEIKKIMN
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 62 |
| 1H chemical shifts | 66 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PEX-14 | 1 |
Entities:
Entity 1, PEX-14 70 residues - Formula weight is not available
| 1 | GLY | ALA | MET | GLY | TYR | PRO | GLU | GLU | SER | GLU | |
| 2 | LYS | ARG | LYS | ARG | VAL | SER | SER | ALA | VAL | GLN | |
| 3 | PHE | LEU | HIS | ASP | SER | ARG | VAL | LYS | ILE | THR | |
| 4 | PRO | ALA | ALA | ASN | LYS | ILE | GLN | PHE | LEU | LYS | |
| 5 | SER | LYS | GLY | LEU | THR | THR | GLU | GLU | VAL | CYS | |
| 6 | GLU | ALA | PHE | GLU | LYS | ALA | GLY | GLN | THR | ILE | |
| 7 | PRO | LEU | ASP | GLU | ILE | LYS | LYS | ILE | MET | ASN |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks