BMRB Entry 18926
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/BMR18926
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 MCh-1: A novel inhibitor cystine knot peptide from Momordica charantia PubMed: 24116036
Deposition date: 2013-01-01 Original release date: 2013-10-14
Authors: HE, WEN-JUN; CHAN, LAI YUE; CLARK, RICHARD; TANG, JUN; ZENG, GUANG-ZHI; FRANCO, OCTAVIO; CANTACESSI, CINZIA; CRAIK, DAVID; DALY, NORELLE; TAN, NING-HUA
Citation: HE, WEN-JUN; CHAN, LAI YUE; CLARK, RICHARD; TANG, JUN; ZENG, GUANG-ZHI; FRANCO, OCTAVIO; CANTACESSI, CINZIA; CRAIK, DAVID; DALY, NORELLE; TAN, NING-HUA. "Novel Inhibitor Cystine Knot Peptides from Momordica charantia" PLoS One 8, e75334-e75334 (2013).
Assembly members:
MCh-1, polymer, 32 residues, 3030.585 Da.
Natural source: Common Name: Eudicots Taxonomy ID: 3673 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Momordica charantia
Experimental source: Production method: purified from the natural source Host organism: Momordica charantia
Entity Sequences (FASTA):
MCh-1: GCAGKSCNILGSDPCDAGCF
CLPVGIVAGVCV
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 178 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MCh-1 | 1 |
Entities:
Entity 1, MCh-1 32 residues - 3030.585 Da.
| 1 | GLY | CYS | ALA | GLY | LYS | SER | CYS | ASN | ILE | LEU | ||||
| 2 | GLY | SER | ASP | PRO | CYS | ASP | ALA | GLY | CYS | PHE | ||||
| 3 | CYS | LEU | PRO | VAL | GLY | ILE | VAL | ALA | GLY | VAL | ||||
| 4 | CYS | VAL |
Samples:
sample_1: MCh-1 3 ± 0.2 mM; H2O 90%; D2O 10%; acetonitrile 27%
sample_conditions_1: pH: 5; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker ARX 600 MHz
Related Database Links:
| PDB |