BMRB Entry 50812
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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/BMR50812
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Title: NMR resonance assignment of the golden kiwi fruit allergen Act c 8.0101 PubMed: 34106433
Deposition date: 2021-03-09 Original release date: 2021-06-25
Authors: Zeindl, Ricarda; Tollinger, Martin
Citation: Zeindl, Ricarda; Tollinger, Martin. "NMR resonance assignments of the PR-10 allergens Act c 8 and Act d 8 from golden and green kiwifruit" Biomol. NMR Assignments 15, 367-371 (2021).
Assembly members:
entity_1, polymer, 158 residues, Formula weight is not available
Natural source: Common Name: kiwi fruit Taxonomy ID: 3627 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Actinidia deliciosa
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28b(+)
Entity Sequences (FASTA):
entity_1: GVVTYDMEIPSKVPPVKLYK
AFILDGDTLVPKVLPHAIKC
VKILEGDGCAGTIKEVTFGE
GSHHKCVKQRVDAIDKDNLT
YSYTIIEGDVLAEKFESISY
HIKIVACPDGGSICKNRSIY
TTKGDCKVSEEEIKLGKEKA
AEIFKALEAYLLANPDYC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 653 |
| 15N chemical shifts | 151 |
| 1H chemical shifts | 989 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Act c 8.0101 | 1 |
Entities:
Entity 1, Act c 8.0101 158 residues - Formula weight is not available
| 1 | GLY | VAL | VAL | THR | TYR | ASP | MET | GLU | ILE | PRO | ||||
| 2 | SER | LYS | VAL | PRO | PRO | VAL | LYS | LEU | TYR | LYS | ||||
| 3 | ALA | PHE | ILE | LEU | ASP | GLY | ASP | THR | LEU | VAL | ||||
| 4 | PRO | LYS | VAL | LEU | PRO | HIS | ALA | ILE | LYS | CYS | ||||
| 5 | VAL | LYS | ILE | LEU | GLU | GLY | ASP | GLY | CYS | ALA | ||||
| 6 | GLY | THR | ILE | LYS | GLU | VAL | THR | PHE | GLY | GLU | ||||
| 7 | GLY | SER | HIS | HIS | LYS | CYS | VAL | LYS | GLN | ARG | ||||
| 8 | VAL | ASP | ALA | ILE | ASP | LYS | ASP | ASN | LEU | THR | ||||
| 9 | TYR | SER | TYR | THR | ILE | ILE | GLU | GLY | ASP | VAL | ||||
| 10 | LEU | ALA | GLU | LYS | PHE | GLU | SER | ILE | SER | TYR | ||||
| 11 | HIS | ILE | LYS | ILE | VAL | ALA | CYS | PRO | ASP | GLY | ||||
| 12 | GLY | SER | ILE | CYS | LYS | ASN | ARG | SER | ILE | TYR | ||||
| 13 | THR | THR | LYS | GLY | ASP | CYS | LYS | VAL | SER | GLU | ||||
| 14 | GLU | GLU | ILE | LYS | LEU | GLY | LYS | GLU | LYS | ALA | ||||
| 15 | ALA | GLU | ILE | PHE | LYS | ALA | LEU | GLU | ALA | TYR | ||||
| 16 | LEU | LEU | ALA | ASN | PRO | ASP | TYR | CYS |
Samples:
sample_1: Act c 8.0101, [U-99% 15N], 0.5 mM; sodium phosphate 20 mM
sample_2: Act c 8.0101, [U-99% 13C; U-99% 15N], 0.5 mM; sodium phosphate 20 mM
sample_conditions_1: pH: 6.9; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D (H)CC(CO)NH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D (HB)CB(CGCD)HD | sample_2 | isotropic | sample_conditions_1 |
| 2D (HB)CB(CGCDCE)HE | sample_2 | isotropic | sample_conditions_1 |
Software:
NMRPipe - processing
CcpNMR - chemical shift assignment
NMR spectrometers:
- Agilent DD2 500 MHz
- Bruker AVANCE NEO 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts