BMRB Entry 15134

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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

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Title:
Solution structure of phl p 3, a major allergen from timothy grass pollen
Deposition date:
2007-02-15
Original release date:
2008-07-28
Authors:
Schweimer, Kristian; Matecko, Irena; Roesch, Paul
Citation:

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).
PubMed: 18627309

Assembly members:

Assembly members:
phl_p_3, polymer, 108 residues, 12256.045 Da.

Natural source:

Natural source:   Common Name: timothy grass   Taxonomy ID: not available   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Phleum pratense

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pQE9

Entity Sequences (FASTA):

Entity Sequences (FASTA):
phl_p_3: RGSHHHHHHGSAVQVTFTVQ KGSDPKKLVLDIKYTRPGDS LAEVELRQHGSEEWEPLTKK GNVWEVKSSKPLVGPFNFRF MSKGGMRNVFDEVIPTAFSI GKTYKPEE

Data sets:
Data typeCount
13C chemical shifts386
15N chemical shifts95
1H chemical shifts686

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1phl p 31

Entities:

Entity 1, phl p 3 108 residues - 12256.045 Da.

1   ARGGLYSERHISHISHISHISHISHISGLY
2   SERALAVALGLNVALTHRPHETHRVALGLN
3   LYSGLYSERASPPROLYSLYSLEUVALLEU
4   ASPILELYSTYRTHRARGPROGLYASPSER
5   LEUALAGLUVALGLULEUARGGLNHISGLY
6   SERGLUGLUTRPGLUPROLEUTHRLYSLYS
7   GLYASNVALTRPGLUVALLYSSERSERLYS
8   PROLEUVALGLYPROPHEASNPHEARGPHE
9   METSERLYSGLYGLYMETARGASNVALPHE
10   ASPGLUVALILEPROTHRALAPHESERILE
11   GLYLYSTHRTYRLYSPROGLUGLU

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
2D 1H-15N IPAPsample_2anisotropicsample_conditions_1
3D HA(CO)NH-Jsample_2anisotropicsample_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

Related Database Links:

PDB
GB AAR31142

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks