BMRB Entry 15601
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15601
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Title: Chemical shift assignments for Atra-PBP1 PubMed: 19636880
Deposition date: 2007-12-18 Original release date: 2008-06-05
Authors: Ames, James
Citation: Xu, Xianzhong; Li, Yun; Rayo, Josep; Ishida, Yuko; Leal, Walter; Ames, James. "1H, 15N, and 13C Chemical shift assignments of the navel orange worm pheromone-binding protein-1 (Atra-PBP1)" Biomol. NMR Assignments 2, 105-106 (2008).
Assembly members:
Atra-PBP1, polymer, 142 residues, Formula weight is not available
Natural source: Common Name: polyphemus moth Taxonomy ID: 7120 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Antheraea Polyphemus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Atra-PBP1: SPEIMKDLSINFGKALDTCK
KELDLPDSINEDFYKFWKED
YEITNRLTGCAIKCLSEKLE
MVDADGKLHHGNAREFAMKH
GADDAMAKQLVDLIHGCEKS
IPPNDDRCMEVLSIAMCFKK
EIHNLKWAPNMEVVVGEVLA
EV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 409 |
| 15N chemical shifts | 135 |
| 1H chemical shifts | 521 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | subunit 1 | 1 |
Entities:
Entity 1, subunit 1 142 residues - Formula weight is not available
| 1 | SER | PRO | GLU | ILE | MET | LYS | ASP | LEU | SER | ILE | ||||
| 2 | ASN | PHE | GLY | LYS | ALA | LEU | ASP | THR | CYS | LYS | ||||
| 3 | LYS | GLU | LEU | ASP | LEU | PRO | ASP | SER | ILE | ASN | ||||
| 4 | GLU | ASP | PHE | TYR | LYS | PHE | TRP | LYS | GLU | ASP | ||||
| 5 | TYR | GLU | ILE | THR | ASN | ARG | LEU | THR | GLY | CYS | ||||
| 6 | ALA | ILE | LYS | CYS | LEU | SER | GLU | LYS | LEU | GLU | ||||
| 7 | MET | VAL | ASP | ALA | ASP | GLY | LYS | LEU | HIS | HIS | ||||
| 8 | GLY | ASN | ALA | ARG | GLU | PHE | ALA | MET | LYS | HIS | ||||
| 9 | GLY | ALA | ASP | ASP | ALA | MET | ALA | LYS | GLN | LEU | ||||
| 10 | VAL | ASP | LEU | ILE | HIS | GLY | CYS | GLU | LYS | SER | ||||
| 11 | ILE | PRO | PRO | ASN | ASP | ASP | ARG | CYS | MET | GLU | ||||
| 12 | VAL | LEU | SER | ILE | ALA | MET | CYS | PHE | LYS | LYS | ||||
| 13 | GLU | ILE | HIS | ASN | LEU | LYS | TRP | ALA | PRO | ASN | ||||
| 14 | MET | GLU | VAL | VAL | VAL | GLY | GLU | VAL | LEU | ALA | ||||
| 15 | GLU | VAL |
Samples:
sample_1: Atra-PBP1, [U-100% 13C; U-100% 15N], 1 mM; D2O, [U-100% 2H], 5%; H2O 95%
sample_conditions_1: ionic strength: 0.1 M; pH: 4.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker DRX 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts