BMRB Entry 19129
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19129
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
Citation: Sonti, Rajesh; Gowd, Konkallu; Rao, K. N.; Ragothama, Srinivasarao; Rodriguez, Alex; Perez, Juan; Balaram, Padmanabhan. "Conformational Diversity in Contryphans from Conus Venom: cis-trans Isomerisation and Aromatic/Proline Interactions in the 23-Membered Ring of a 7-Residue Peptide Disulfide Loop" Chemistry 19, 15175-15189 (2013).
PubMed: 24115170
Assembly members:
tIn936W, polymer, 8 residues, 940.140 Da.
Natural source: Common Name: Gastropods Taxonomy ID: 257329 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus inscriptus
Experimental source: Production method: chemical synthesis Vector: not aplicable
Entity Sequences (FASTA):
tIn936W: GCVLYPWC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 7 |
| 1H chemical shifts | 41 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | tIn936W | 1 |
Entities:
Entity 1, tIn936W 8 residues - 940.140 Da.
| 1 | GLY | CYS | VAL | LEU | TYR | PRO | TRP | CYS |
Samples:
sample_1: TSP ~3 mM; H2O 90%; D2O 10%; tIn936W mM
sample_conditions_1: temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 500 MHz