BMRB Entry 25507
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25507
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Li, Yawen; Ma, Lixin; Gaddam, Vikram; Gallazzi, Fabio; Hennkens, Heather; Harmata, Michael; Lewis, Michael; Deakyne, Carol; Jurisson, Silvia. "Synthesis, Characterization, and In Vitro Evaluation of New (99m)Tc/Re(V)-Cyclized Octreotide Analogues: An Experimental and Computational Approach" Inorg. Chem. 55, 1124-1133 (2016).
PubMed: 26789775
Assembly members:
Linear_SDPhe-TATE, polymer, 8 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Linear_SDPhe-TATE: XCYXKTCT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 32 |
| 1H chemical shifts | 58 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Linear SDPhe-TATE | 1 |
Entities:
Entity 1, Linear SDPhe-TATE 8 residues - Formula weight is not available
residue 1 is a nonstandard amino acid; residue 4 is a D-Trp
| 1 | SDPhe | CYS | TYR | DTR | LYS | THR | CYS | THR |
Samples:
sample_1: Linear SDPhe-TATE 5 mM; H2O 71%; D2O 10%; CD3CN 19%
sample_conditions_1: ionic strength: 5 mM; pH: 4; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker Avance 800 MHz