BMRB Entry 31055
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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/BMR31055
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Title: NMR solution structure of lambda-MeuKTx-1 PubMed: 23721518
Deposition date: 2022-11-07 Original release date: 2022-11-17
Authors: Harvey, P.; Craik, D.
Citation: Gao, B.; Harvey, P.; Craik, D.; Ronjat, M.; De Waard, M.; Zhu, S.. "Functional evolution of scorpion venom peptides with an inhibitor cystine knot fold." Biosci. Rep. 33, e00047-e00047 (2013).
Assembly members:
entity_1, polymer, 38 residues, 4135.675 Da.
Natural source: Common Name: lesser Asian scorpion Taxonomy ID: 34648 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mesobuthus eupeus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GCNRLNKKCNSDADCCRYGE
RCISTGVNYYCRPDVGPX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 218 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 38 residues - 4135.675 Da.
| 1 | GLY | CYS | ASN | ARG | LEU | ASN | LYS | LYS | CYS | ASN | ||||
| 2 | SER | ASP | ALA | ASP | CYS | CYS | ARG | TYR | GLY | GLU | ||||
| 3 | ARG | CYS | ILE | SER | THR | GLY | VAL | ASN | TYR | TYR | ||||
| 4 | CYS | ARG | PRO | ASP | VAL | GLY | PRO | NH2 |
Samples:
sample_1: peptide 1.0 mM
sample_2: peptide 1.0 mM
sample_conditions_1: pH: 3.0; 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 NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D ECOSY | sample_2 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - processing
CcpNmr Analysis, CCPN - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Bruker AVANCE III HD 600 MHz