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 15702

Title: Solution NMR Structure of Bordatella pertussis protein BP2786, a Mth938-like domain: Northeast Structural Genomics Consortium target BeR31

Authors: Cort, John; Ho, Chi; Nwosu, Chioma; Maglaqui, Melissa; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T.; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Kennedy, Michael

Citation: Cort, John; Kennedy, Michael. "Solution structure of Bordatella pertussis protein BP2786"  Not known ., .-..

Assembly members:
BP2786, polymer, 158 residues, 15800 Da.

Natural source:   Common Name: Bordetella pertussis   Taxonomy ID: 520   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bordatella pertussis

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

Entity Sequences (FASTA):
BP2786: MKLHTDPATALNTVTAYGDG YIEVNQVRFSHAIAFAPEGP VASWPVQRPADITASLLQQA AGLAEVVRDPLAFLDEPEAG AGARPANAPEVLLVGTGRRQ HLLGPEQVRPLLAMGVGVEA MDTQAAARTYNILMAEGRRV VVALLPDGDSLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts532
15N chemical shifts132
1H chemical shifts839

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1BP27861

Entities:

Entity 1, BP2786 158 residues - 15800 Da.

contains C-terminal 6X His tag and linker: LEHHHHHH

1   METLYSLEUHISTHRASPPROALATHRALA
2   LEUASNTHRVALTHRALATYRGLYASPGLY
3   TYRILEGLUVALASNGLNVALARGPHESER
4   HISALAILEALAPHEALAPROGLUGLYPRO
5   VALALASERTRPPROVALGLNARGPROALA
6   ASPILETHRALASERLEULEUGLNGLNALA
7   ALAGLYLEUALAGLUVALVALARGASPPRO
8   LEUALAPHELEUASPGLUPROGLUALAGLY
9   ALAGLYALAARGPROALAASNALAPROGLU
10   VALLEULEUVALGLYTHRGLYARGARGGLN
11   HISLEULEUGLYPROGLUGLNVALARGPRO
12   LEULEUALAMETGLYVALGLYVALGLUALA
13   METASPTHRGLNALAALAALAARGTHRTYR
14   ASNILELEUMETALAGLUGLYARGARGVAL
15   VALVALALALEULEUPROASPGLYASPSER
16   LEUGLUHISHISHISHISHISHIS

Samples:

sample_1: BP2786 mM; sodium chloride 100 mM; MES 20 mM; DTT 10 mM; sodium azide 0.02%; calcium chloride 5 mM

sample_2: BP2786 mM; sodium chloride 100 mM; MES 20 mM; DTT 10 mM; sodium azide 0.02%; calcium chloride 5 mM

sample_conditions_1: ionic strength: 135 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
4D 1H-13C-13C-1H HMQC-NOESYsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1

Software:

FELIX v97, Accelrys Software Inc. - chemical shift assignment, data analysis, processing

SPARKY, Goddard - chemical shift assignment, data analysis

AutoStruct, Huang, Tejero, Powers and Montelione - refinement, structure solution

PSVS, Bhattacharya and Montelione - refinement, structure analysis

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 750 MHz
  • Varian INOVA 800 MHz
  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAO68551
EMBL CAE32421 CAE37772 CAE43059 CCJ49135 CCJ53508
GB AEE67991 AIW91535 AIW96550 AJB27175 ALH48586
REF NP_881386 WP_003813077 WP_010926333 WP_033453456 WP_033462228