BMRB Entry 7361
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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/BMR7361
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Title: SOLUTION STRUCTURE OF A LINEAR ANALOG OF THE SQUASH TRYPSIN INHIBITOR MCOTI-II, NMR, 30 STRUCTURES. PubMed: 18025039
Deposition date: 2007-01-18 Original release date: 2008-02-11
Authors: Heitz, A.; Avrutina, O.; Diederischen, U.; Kolmar, H.; Chiche, L.
Citation: Gracy, J.; Le-Nguyen, D.; Gelly, J.C.; Kaas, Q.; Heitz, A.; Chiche, L.. "KNOTTIN: the knottin or inhibitor cystine knot scaffold in 2007." Nucleic Acids Res. 36, 314-319 (2008).
Assembly members:
lin_MCoTI, polymer, 30 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: synthetic
Entity Sequences (FASTA):
lin_MCoTI: GVCPKILKKCRRDSDCPGAC
ICRGNGYCGX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 87 |
| 1H chemical shifts | 193 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | lin_MCoTI | 1 |
Entities:
Entity 1, lin_MCoTI 30 residues - Formula weight is not available
| 1 | GLY | VAL | CYS | PRO | LYS | ILE | LEU | LYS | LYS | CYS | |
| 2 | ARG | ARG | ASP | SER | ASP | CYS | PRO | GLY | ALA | CYS | |
| 3 | ILE | CYS | ARG | GLY | ASN | GLY | TYR | CYS | GLY | NH2 |
Samples:
sample_1: lin_MCoTI 1.2 mM
sample_cond_1: pH: 3.0; pressure: 1 atm; temperature: 305 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| COSY | not available | not available | not available |
| TOCSY | not available | not available | not available |
| 1H-13C HSQC | not available | not available | not available |
| 1H-13C HSQC-TOCSY | not available | not available | not available |
Software:
xwinnmr v3.1 -
NMR spectrometers:
- Bruker Avance 600 MHz