BMRB Entry 5176
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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/BMR5176
MolProbity Validation Chart
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NMR-STAR v3 text file.
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RDF gzip file.
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Citation: HEITZ, A.; HERNANDEZ, J.; GAGNON, J.; HONG, T.; PHAM, T.; NGUYEN, T.; LE-NGUYEN, D.; CHICHE, L.. "Solution structure of the squash trypsin inhibitor MCoTI-II.
A new family for cyclic knottins." Biochemistry 40, 7973-7983 (2001).
PubMed: 11434766
Assembly members:
MCoTI-II, polymer, 34 residues, 3453 Da.
Natural source: Common Name: Spiny bitter cucumber Taxonomy ID: 3674 Superkingdom: Eukaryota Kingdom: Virdiplanta 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 |
| 13C chemical shifts | 95 |
| 1H chemical shifts | 210 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MCoTI-II subunit 1 | 1 |
Entities:
Entity 1, MCoTI-II subunit 1 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 2.5 mM
sample_cond_1: pH: 3.40; pressure: 1 atm; temperature: 305.0 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | not available | sample_cond_1 |
| COSY | sample_1 | not available | sample_cond_1 |
| TOCSY | sample_1 | not available | sample_cond_1 |
| 1H-13C HSQC | sample_1 | not available | sample_cond_1 |
Software:
xwinnmr v2.6 -
NMR spectrometers:
- Bruker AMX 600 MHz