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 19552

Title: Solution structure of Blo t 19, a minor dust mite allergen from Blomia tropicalis.

Deposition date: 2013-10-15 Original release date: 2014-11-17

Authors: Naik, Mandar; Naik, Nandita; Huang, Tai-huang

Citation: Naik, Mandar; Naik, Nandita; Kuo, I-Chun; Liao, You-Di; Huang, Tai-huang. "Solution structure of Blo 1 19"  Not known ., .-..

Assembly members:
Blo_t_19, polymer, 68 residues, 6945.848 Da.

Natural source:   Common Name: Storage mite   Taxonomy ID: 40697   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Blomia tropicalis

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

Entity Sequences (FASTA):
Blo_t_19: GSALDFTSCARMNDGALGAK VAQAACISSCKFQNCGTGHC ERRGGRPTCVCSRCGNGGGE WPNLPSRG

Data sets:
Data typeCount
13C chemical shifts270
15N chemical shifts82
1H chemical shifts432

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Blo t 19, major conformer1
2Blo t 19, minor conformer1

Entities:

Entity 1, Blo t 19, major conformer 68 residues - 6945.848 Da.

Residue 1 and 2 represent a non-native tag.

1   GLYSERALALEUASPPHETHRSERCYSALA
2   ARGMETASNASPGLYALALEUGLYALALYS
3   VALALAGLNALAALACYSILESERSERCYS
4   LYSPHEGLNASNCYSGLYTHRGLYHISCYS
5   GLUARGARGGLYGLYARGPROTHRCYSVAL
6   CYSSERARGCYSGLYASNGLYGLYGLYGLU
7   TRPPROASNLEUPROSERARGGLY

Samples:

CN: Blo t 19, [U-100% 13C; U-100% 15N], 1 ± 0.05 mM; potassium phosphate 50 ± 1 mM; sodium chloride 100 ± 1 mM; H2O 90 ± 1 %; D2O 10 ± 1 %

N: Blo t 19, [U-100% 15N], 1 ± 0.05 mM; potassium phosphate 50 ± 1 mM; sodium chloride 100 ± 1 mM; H2O 90 ± 1 %; D2O 10 ± 1 %

Unlabeled: Blo t 19 1 ± 0.05 mM; potassium phosphate 50 ± 1 mM; sodium chloride 100 ± 1 mM; H2O 90 ± 1 %; D2O 10 ± 1 %

Phage: Blo t 19, [U-100% 15N], 1 ± 0.05 mM; potassium phosphate 50 ± 1 mM; sodium chloride 100 ± 1 mM; Pf1 phage 15 ± 0.1 mg/ml; H2O 90 ± 0.1 %; D2O 10 ± 0.1 %

Default: pH: 6.0; pressure: 1 atm; temperature: 295 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNisotropicDefault
2D 1H-13C HSQCCNisotropicDefault
3D HNCOCNisotropicDefault
3D HN(CA)COCNisotropicDefault
3D HNCACNisotropicDefault
3D HNCACBCNisotropicDefault
3D CBCA(CO)NHCNisotropicDefault
3D HNHACNisotropicDefault
3D HCCH-COSYCNisotropicDefault
3D HCCH-TOCSYCNisotropicDefault
2D-hbCBcgcdHDCNisotropicDefault
2D-hbCBcgcdceHECNisotropicDefault
2D-TOCSYUnlabeledisotropicDefault
3D 1H-15N TOCSYNisotropicDefault
2D 1H-1H NOESYUnlabeledisotropicDefault
3D 1H-13C NOESYHSQCCNisotropicDefault
3D 1H-15N NOESYHSQCCNisotropicDefault
2D 1H-15N IPAP HSQCPhageanisotropicDefault

Software:

TOPSPIN v3.0, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment, peak picking

CYANA v3.9, Guntert, Mumenthaler and Wuthrich - geometry optimization, structure solution

PSVS v1.5, Bhattacharya and Montelione - validation

X-PLOR NIH v2.34, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 850 MHz

Related Database Links:

PDB
GB AHG97583

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts