BMRB Entry 15134
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15134
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution structure of phl p 3, a major allergen from timothy grass pollen PubMed: 18627309
Deposition date: 2007-02-15 Original release date: 2008-07-28
Authors: Schweimer, Kristian; Matecko, Irena; Roesch, Paul
Citation: Schweimer, Kristian; Petersen, Arnd; Suck, R.; Becker, Wolf-Meinhard; Roesch, Paul; Matecko, Irena. "Solution structure of Phl p 3, a major allergen from Timothy grass pollen" Biol. Chem. 389, 919-923 (2008).
Assembly members:
phl_p_3, polymer, 108 residues, 12256.045 Da.
Natural source: Common Name: timothy grass Taxonomy ID: not available Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Phleum pratense
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
phl_p_3: RGSHHHHHHGSAVQVTFTVQ
KGSDPKKLVLDIKYTRPGDS
LAEVELRQHGSEEWEPLTKK
GNVWEVKSSKPLVGPFNFRF
MSKGGMRNVFDEVIPTAFSI
GKTYKPEE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 386 |
| 15N chemical shifts | 95 |
| 1H chemical shifts | 686 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | phl p 3 | 1 |
Entities:
Entity 1, phl p 3 108 residues - 12256.045 Da.
| 1 | ARG | GLY | SER | HIS | HIS | HIS | HIS | HIS | HIS | GLY | ||||
| 2 | SER | ALA | VAL | GLN | VAL | THR | PHE | THR | VAL | GLN | ||||
| 3 | LYS | GLY | SER | ASP | PRO | LYS | LYS | LEU | VAL | LEU | ||||
| 4 | ASP | ILE | LYS | TYR | THR | ARG | PRO | GLY | ASP | SER | ||||
| 5 | LEU | ALA | GLU | VAL | GLU | LEU | ARG | GLN | HIS | GLY | ||||
| 6 | SER | GLU | GLU | TRP | GLU | PRO | LEU | THR | LYS | LYS | ||||
| 7 | GLY | ASN | VAL | TRP | GLU | VAL | LYS | SER | SER | LYS | ||||
| 8 | PRO | LEU | VAL | GLY | PRO | PHE | ASN | PHE | ARG | PHE | ||||
| 9 | MET | SER | LYS | GLY | GLY | MET | ARG | ASN | VAL | PHE | ||||
| 10 | ASP | GLU | VAL | ILE | PRO | THR | ALA | PHE | SER | ILE | ||||
| 11 | GLY | LYS | THR | TYR | LYS | PRO | GLU | GLU |
Samples:
sample_1: phl p 3, [U-95% 13C; U-95% 15N], 2 mM; DTT 1 mM; NaCl 100 mM; phosphate buffer 20 mM
sample_2: phl p 3, [U-95% 13C; U-95% 15N], 1 mM; Pf1 phage 10 mg/mL; DTT 1 mM; NaCl 100 mM; phosphate buffer 20 mM
sample_conditions_1: ionic strength: 100 mM; pH: 7; 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_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N IPAP | sample_2 | anisotropic | sample_conditions_1 |
| 3D HA(CO)NH-J | sample_2 | anisotropic | sample_conditions_1 |
Software:
NMRView v5.2.2, Johnson, One Moon Scientific - data analysis, peak picking
X-PLOR NIH v1.2.1, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution
home_written v0.0, Kristian Schweimer - processing
NMR spectrometers:
- Bruker DRX 600 MHz
- Bruker Avance 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts