BMRB Entry 17956
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/BMR17956
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution structure of MCoTI-V PubMed: 22822203
Deposition date: 2011-09-23 Original release date: 2012-08-06
Authors: Daly, Norelle; Craik, David
Citation: Mylne, Joshua; Chan, Lai Yue; Chanson, Aurelie; Daly, Norelle; Schaefer, Hanno; Bailey, Timothy; Nguyencong, Philip; Cascales, Laura; Craik, David. "Cyclic Peptides Arising by Evolutionary Parallelism via Asparaginyl-Endopeptidase-Mediated Biosynthesis." Plant Cell 24, 2765-2778 (2012).
Assembly members:
entity, polymer, 30 residues, 3320.915 Da.
Natural source: Common Name: spiny bitter cucumber Taxonomy ID: 3674 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Momordica cochinchinensis
Experimental source: Production method: purified from the natural source Host organism: Momordica cochinchinensis
Entity Sequences (FASTA):
entity: XRACPRILKKCRRDSDCPGE
CICKGNGYCG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 179 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MCoTI-V | 1 |
Entities:
Entity 1, MCoTI-V 30 residues - 3320.915 Da.
| 1 | PCA | ARG | ALA | CYS | PRO | ARG | ILE | LEU | LYS | LYS | |
| 2 | CYS | ARG | ARG | ASP | SER | ASP | CYS | PRO | GLY | GLU | |
| 3 | CYS | ILE | CYS | LYS | GLY | ASN | GLY | TYR | CYS | GLY |
Samples:
sample_1: MCoTI-V 1 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0 M; pH: 5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
SPARKY, Goddard - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
CNSSOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker ARX 600 MHz
Related Database Links:
| PDB |