BMRB Entry 5707
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5707
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Title: Sequence-specific 1H, 13C and 15N resonance assignments of the birch pollen allergen Bet v 4 PubMed: 15037075
Deposition date: 2003-02-24 Original release date: 2003-03-30
Authors: Neudecker, Philipp; Nerkamp, Joerg; Eisenmann, Anke; Lauber, Thomas; Lehmann, Katrin; Schweimer, Kristian; Roesch, Paul
Citation: Neudecker, Philipp; Nerkamp, Joerg; Eisenmann, Anke; Nourse, Amanda; Lauber, Thomas; Schweimer, Kristian; Lehmann, Katrin; Schwarzinger, Stephan; Ferreira, Fatima; Roesch, Paul. "Solution Structure, Dynamics, and Hydrodynamics of the Calcium-bound Cross-reactive Birch Pollen Allergen Bet v 4 Reveal a Canonical Monomeric Two-EF-hand Assembly with a Regulatory Function" J. Mol. Biol. 336, 1141-1157 (2004).
Assembly members:
Bet v 4, polymer, 84 residues, 9396 Da.
CA, non-polymer, 40.078 Da.
Natural source: Common Name: White birch Taxonomy ID: 3505 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Betula verrucosa
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pMW175
Entity Sequences (FASTA):
Bet v 4: ADDHPQDKAERERIFKRFDA
NGDGKISAAELGEALKTLGS
ITPDEVKHMMAEIDTDGDGF
ISFQEFTDFGRANRGLLKDV
AKIF
- assigned_chemical_shifts
- coupling_constants
- heteronucl_NOEs
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
| Data type | Count |
| 13C chemical shifts | 344 |
| 15N chemical shifts | 92 |
| 1H chemical shifts | 580 |
| T1 relaxation values | 64 |
| T2 relaxation values | 128 |
| coupling constants | 66 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Bet v 4 | 1 |
| 2 | Calcium (II) ion, 1 | 2 |
| 3 | Calcium (II) ion, 2 | 2 |
Entities:
Entity 1, Bet v 4 84 residues - 9396 Da.
| 1 | ALA | ASP | ASP | HIS | PRO | GLN | ASP | LYS | ALA | GLU | ||||
| 2 | ARG | GLU | ARG | ILE | PHE | LYS | ARG | PHE | ASP | ALA | ||||
| 3 | ASN | GLY | ASP | GLY | LYS | ILE | SER | ALA | ALA | GLU | ||||
| 4 | LEU | GLY | GLU | ALA | LEU | LYS | THR | LEU | GLY | SER | ||||
| 5 | ILE | THR | PRO | ASP | GLU | VAL | LYS | HIS | MET | MET | ||||
| 6 | ALA | GLU | ILE | ASP | THR | ASP | GLY | ASP | GLY | PHE | ||||
| 7 | ILE | SER | PHE | GLN | GLU | PHE | THR | ASP | PHE | GLY | ||||
| 8 | ARG | ALA | ASN | ARG | GLY | LEU | LEU | LYS | ASP | VAL | ||||
| 9 | ALA | LYS | ILE | PHE |
Entity 2, Calcium (II) ion, 1 - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: Bet v 4, [U-98% 15N], 1.5 mM
sample_2: Bet v 4, [U-99% 13C; U-99% 15N], 1.5 mM
cond_1: pH: 6.0; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | not available | not available | cond_1 |
| 2D NOESY | not available | not available | cond_1 |
| 1H,15N HSQC | not available | not available | cond_1 |
| HNHA | not available | not available | cond_1 |
| 3D 1H,15N-TOCSY-HSQC | not available | not available | cond_1 |
| 3D 1H,15N-NOESY-HSQC | not available | not available | cond_1 |
| 3D 1H,15N/1H,15N-HMQC-NOESY-HSQC | not available | not available | cond_1 |
| 1H,13C CTHSQC | not available | not available | cond_1 |
| HNCO | not available | not available | cond_1 |
| long-range H(N)CO | not available | not available | cond_1 |
| HNCA | not available | not available | cond_1 |
| C(CO)NH | not available | not available | cond_1 |
| H(C)CH-COSY | not available | not available | cond_1 |
| (H)CCH-COSY | not available | not available | cond_1 |
| 3D 1H,13C-NOESY-HSQC | not available | not available | cond_1 |
| 3D 1H,13C/1H,15N-HMQC-NOESY-HSQC | not available | not available | cond_1 |
Software:
NDEE - spectral analysis
NMRView v5.0.4 - spectral analysis
NMR spectrometers:
- Bruker DRX 600 MHz
- Bruker DMX 750 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts