BMRB Entry 34931
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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/BMR34931
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Horvath, Daniel; Straner, Pal; Taricska, Nora; Fazekas, Zsolt; Menyhard, Dora; Perczel, Andras. "Influence of Trp-Cage on the Function and Stability of GLP-1R Agonist Exenatide Derivatives" J. Med. Chem. 67, 16757-16772 (2024).
PubMed: 39254428
Assembly members:
entity_1, polymer, 25 residues, 2786.079 Da.
Natural source: Common Name: Gila monster Taxonomy ID: 8554 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Heloderma suspectum
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: EEEAVRLYIQWLKEGGPSSG
RPPPS
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 142 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 25 residues - 2786.079 Da.
| 1 | GLU | GLU | GLU | ALA | VAL | ARG | LEU | TYR | ILE | GLN | ||||
| 2 | TRP | LEU | LYS | GLU | GLY | GLY | PRO | SER | SER | GLY | ||||
| 3 | ARG | PRO | PRO | PRO | SER |
Samples:
sample_1: polypeptide 0.8 mM; sodium azide 1%; DSS 1%
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 321 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | 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:
CcpNmr Analysis Assign v2.4.1, CCPN - chemical shift assignment, peak picking, refinement
ARIA2alpha v2.3.1, Rieping, W. - structure calculation
NMR spectrometers:
- Bruker AVANCE III 700 MHz