BMRB Entry 52377
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52377
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Citation: Cotten, Myriam; Starich, Mary; He, Yi; Yin, Jun; Yuan, Quan; Tjandra, Nico. "NMR chemical shift assignment of Drosophila odorant binding protein 44a in complex with 8(Z)-eicosenoic acid" Biomol. NMR Assign. 18, 129-134 (2024).
PubMed: 38822991
Assembly members:
entity_1, polymer, 125 residues, Formula weight is not available
entity_2, non-polymer, 310.5 Da.
Natural source: Common Name: fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pJ414
Entity Sequences (FASTA):
entity_1: SDYKLRTAEDLQSARKECAA
SSKVTEALIAKYKTFDYPDD
DITRNYIQCIFVKFDLFDEA
KGFKVENLVAQLGQGKEDKA
ALKADIEKCADKNEQKSPAN
EWAFRGFKCFLGKNLPLVQA
AVQKN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 363 |
| 15N chemical shifts | 120 |
| 1H chemical shifts | 475 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Protein 44a (OBP44a) | 1 |
| 2 | fatty acid | 2 |
Entities:
Entity 1, Protein 44a (OBP44a) 125 residues - Formula weight is not available
| 1 | SER | ASP | TYR | LYS | LEU | ARG | THR | ALA | GLU | ASP | ||||
| 2 | LEU | GLN | SER | ALA | ARG | LYS | GLU | CYS | ALA | ALA | ||||
| 3 | SER | SER | LYS | VAL | THR | GLU | ALA | LEU | ILE | ALA | ||||
| 4 | LYS | TYR | LYS | THR | PHE | ASP | TYR | PRO | ASP | ASP | ||||
| 5 | ASP | ILE | THR | ARG | ASN | TYR | ILE | GLN | CYS | ILE | ||||
| 6 | PHE | VAL | LYS | PHE | ASP | LEU | PHE | ASP | GLU | ALA | ||||
| 7 | LYS | GLY | PHE | LYS | VAL | GLU | ASN | LEU | VAL | ALA | ||||
| 8 | GLN | LEU | GLY | GLN | GLY | LYS | GLU | ASP | LYS | ALA | ||||
| 9 | ALA | LEU | LYS | ALA | ASP | ILE | GLU | LYS | CYS | ALA | ||||
| 10 | ASP | LYS | ASN | GLU | GLN | LYS | SER | PRO | ALA | ASN | ||||
| 11 | GLU | TRP | ALA | PHE | ARG | GLY | PHE | LYS | CYS | PHE | ||||
| 12 | LEU | GLY | LYS | ASN | LEU | PRO | LEU | VAL | GLN | ALA | ||||
| 13 | ALA | VAL | GLN | LYS | ASN |
Entity 2, fatty acid - C20H38O2 - 310.5 Da.
Samples:
sample_1: Protein 44a (OBP44a), [U-100% 15N], 200 uM; Eicosenoic acid C20:1(8Z) 240 uM
sample_2: Protein 44a (OBP44a), [U-100% 13C; U-100% 15N], 400 uM; Eicosenoic acid C20:1(8Z) 480 uM
sample_3: Protein 44a (OBP44a), [U-100% 13C; U-100% 15N], 400 uM; Eicosenoic acid C20:1(8Z) 480 uM
sample_conditions_1: pH: 6.62; 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_3 | isotropic | sample_conditions_1 |
| 3D CBCACONH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D 15N-separated NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 13C-separated NOESY | sample_3 | isotropic | sample_conditions_1 |
Software:
CcpNMR v3.1 - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 600 MHz
- Bruker AVANCE NEO 900 MHz
Related Database Links:
| NCBI | NP_001286186.1 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks