BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 5707

Title: Sequence-specific 1H, 13C and 15N resonance assignments of the birch pollen allergen Bet v 4   PubMed: 15037075

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

Entity Sequences (FASTA):
Bet v 4: ADDHPQDKAERERIFKRFDA NGDGKISAAELGEALKTLGS ITPDEVKHMMAEIDTDGDGF ISFQEFTDFGRANRGLLKDV AKIF

Data sets:
Data typeCount
13C chemical shifts344
15N chemical shifts92
1H chemical shifts580
T1 relaxation values64
T2 relaxation values128
coupling constants66

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Bet v 41
2Calcium (II) ion, 12
3Calcium (II) ion, 22

Entities:

Entity 1, Bet v 4 84 residues - 9396 Da.

1   ALAASPASPHISPROGLNASPLYSALAGLU
2   ARGGLUARGILEPHELYSARGPHEASPALA
3   ASNGLYASPGLYLYSILESERALAALAGLU
4   LEUGLYGLUALALEULYSTHRLEUGLYSER
5   ILETHRPROASPGLUVALLYSHISMETMET
6   ALAGLUILEASPTHRASPGLYASPGLYPHE
7   ILESERPHEGLNGLUPHETHRASPPHEGLY
8   ARGALAASNARGGLYLEULEULYSASPVAL
9   ALALYSILEPHE

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:

NameSampleSample stateSample conditions
2D TOCSYnot availablenot availablecond_1
2D NOESYnot availablenot availablecond_1
1H,15N HSQCnot availablenot availablecond_1
HNHAnot availablenot availablecond_1
3D 1H,15N-TOCSY-HSQCnot availablenot availablecond_1
3D 1H,15N-NOESY-HSQCnot availablenot availablecond_1
3D 1H,15N/1H,15N-HMQC-NOESY-HSQCnot availablenot availablecond_1
1H,13C CTHSQCnot availablenot availablecond_1
HNCOnot availablenot availablecond_1
long-range H(N)COnot availablenot availablecond_1
HNCAnot availablenot availablecond_1
C(CO)NHnot availablenot availablecond_1
H(C)CH-COSYnot availablenot availablecond_1
(H)CCH-COSYnot availablenot availablecond_1
3D 1H,13C-NOESY-HSQCnot availablenot availablecond_1
3D 1H,13C/1H,15N-HMQC-NOESY-HSQCnot availablenot availablecond_1

Software:

NDEE - spectral analysis

NMRView v5.0.4 - spectral analysis

NMR spectrometers:

  • Bruker DRX 600 MHz
  • Bruker DMX 750 MHz

Related Database Links:

PDB
EMBL CAA60628 CAA73147
SWISS-PROT Q39419