BMRB Entry 5028
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5028
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Title: Solution Structure of MCOTI-II, a Macrocyclic Trypsin Inhibitor
Deposition date: 2001-05-22 Original release date: 2001-05-23
Authors: Felizmenio-Quimio, M.; Daly, N.; Craik, D.
Citation: Felizmenio-Quimio, M.; Daly, N.; Craik, D.. "Circular Proteins in Plants: Solution Structure of a Novel Macrocyclic Trypsin Inhibitor from Momordica cochinchinensis" J. Biol. Chem. ., .-. (2001).
Assembly members:
MCoTI II, polymer, 34 residues, 3453 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
Entity Sequences (FASTA):
MCoTI II: SGSDGGVCPKILKKCRRDSD
CPGACICRGNGYCG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 210 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MCoTI II | 1 |
Entities:
Entity 1, MCoTI II 34 residues - 3453 Da.
| 1 | SER | GLY | SER | ASP | GLY | GLY | VAL | CYS | PRO | LYS | ||||
| 2 | ILE | LEU | LYS | LYS | CYS | ARG | ARG | ASP | SER | ASP | ||||
| 3 | CYS | PRO | GLY | ALA | CYS | ILE | CYS | ARG | GLY | ASN | ||||
| 4 | GLY | TYR | CYS | GLY |
Samples:
sample_1: MCoTI II 1 mM; H2O 90%; D2O 10%
sample_cond_1: pH: 3.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | not available | sample_cond_1 |
| DQF-COSY | sample_1 | not available | sample_cond_1 |
| E-COSY | sample_1 | not available | sample_cond_1 |
Software:
xwinnmr v2.6 - collection
XEASY v1.3.7 - data analysis
DYANA v1.5 - structure solution
X-PLOR v3.851 - structure solution
NMR spectrometers:
- Bruker AVANCE 750 MHz