BMRB Entry 34485
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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/BMR34485
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Title: NMR solution structure of alpha-AnmTX-Ms11a-2 (Ms11a-2)
Deposition date: 2020-01-30 Original release date: 2021-02-04
Authors: Mineev, K.; Kornilov, F.; Lushpa, V.; Logashina, Y.; Maleeva, E.; Andreev, Y.
Citation: Kornilov, F.. "NMR solution structure of alpha-AnmTX-Ms11a-2 (Ms11a-2)" .
Assembly members:
entity_1, polymer, 40 residues, 4670.467 Da.
Natural source: Common Name: brown sea anemone Taxonomy ID: 6116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Metridium senile
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3) Vector: pET-32b
Entity Sequences (FASTA):
entity_1: GCKNLNSHCYRQHRECCHGL
VCRRPNYGNGRGILWKCVRA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 118 |
| 15N chemical shifts | 37 |
| 1H chemical shifts | 267 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 40 residues - 4670.467 Da.
| 1 | GLY | CYS | LYS | ASN | LEU | ASN | SER | HIS | CYS | TYR | |
| 2 | ARG | GLN | HIS | ARG | GLU | CYS | CYS | HIS | GLY | LEU | |
| 3 | VAL | CYS | ARG | ARG | PRO | ASN | TYR | GLY | ASN | GLY | |
| 4 | ARG | GLY | ILE | LEU | TRP | LYS | CYS | VAL | ARG | ALA |
Samples:
sample_1: peptide 1.1 ± 0.02 mM
sample_2: peptide 1.1 ± 0.02 mM
sample_conditions_1: ionic strength: 0 mM; pH: 5.2; pressure: 1 atm; temperature: 303 K
sample_conditions_2: ionic strength: 0 mM; pH: 5.2 pD; pressure: 1 atm; temperature: 303 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 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_2 |
Software:
CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - structure calculation
MOLMOL v2K.2, Koradi, Billeter and Wuthrich - data analysis
CARA v1.9.1.7, Keller and Wuthrich - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AVANCE III 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts