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 15353

Title: Solution NMR Structure of Bordetella bronchiseptica protein BB2007: Northeast Structural Genomics Consortium Target BoR54

Authors: Eletsky, Alexander; Sukumaran, Dinesh; Wu, Yibing; Singarapu, Kiran; Parish, David; Xu, Duanxiang; Wang, Dongyan; Nwosu, Chioma; Cunningham, Kellie; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, Gurla; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas

Citation: Eletsky, Alexander; Szyperski, Thomas. "NMR Solution Structure of Bordetella bronchiseptica protein BB2007"  Proteins: Struct. Funct. Genet. ., .-..

Assembly members:
BoR54, polymer, 70 residues, Formula weight is not available

Natural source:   Common Name: not available   Taxonomy ID: 518   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bordetella bronchiseptica

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

Entity Sequences (FASTA):
BoR54: MESRLLDILVCPVCKGRLEF QRAQAELVCNADRLAFPVRD GVPIMLEAEARSLDAEAPAQ PSLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts262
15N chemical shifts65
1H chemical shifts446

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1BoR541

Entities:

Entity 1, BoR54 70 residues - Formula weight is not available

C-terminal His-tag LEHHHHHH

1   METGLUSERARGLEULEUASPILELEUVAL
2   CYSPROVALCYSLYSGLYARGLEUGLUPHE
3   GLNARGALAGLNALAGLULEUVALCYSASN
4   ALAASPARGLEUALAPHEPROVALARGASP
5   GLYVALPROILEMETLEUGLUALAGLUALA
6   ARGSERLEUASPALAGLUALAPROALAGLN
7   PROSERLEUGLUHISHISHISHISHISHIS

Samples:

NC: BoR54, [U-100% 13C; U-100% 15N], 1.3 mM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 100 mM; MES 20 mM; H2O 95%; D2O 5%

NC5: BoR54, [U-5% 13C; U-100% 15N], 0.8 mM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 100 mM; MES 20 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.115 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNCisotropicsample_conditions_1
2D 1H-13C HSQCNCisotropicsample_conditions_1
3D HNCONCisotropicsample_conditions_1
3D HNCACBNCisotropicsample_conditions_1
3D CBCA(CO)NHNCisotropicsample_conditions_1
3D HBHA(CO)NHNCisotropicsample_conditions_1
3D (H)CCH-TOCSYNCisotropicsample_conditions_1
3D (H)CCH-COSYNCisotropicsample_conditions_1
3D 1H-13C,15N NOESYNCisotropicsample_conditions_1
3D (H)CCH-COSYNCisotropicsample_conditions_1
2D 1H-13C HSQCNC5isotropicsample_conditions_1

Software:

VNMR v6.1C, Varian - collection

TOPSPIN v1.3, Bruker Biospin - collection, processing

PROSA v6.0.2, Guntert - processing

CARA v1.8.4, R. Keller - chemical shift assignment, data analysis

CSI v2.0, Brian Sykes, David Wishart - data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

AutoStruct v2.0.0, Huang, Tejero, Powers and Montelione - structure solution

AutoAssign v1.15.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

CNSSOLVE v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Varian INOVA 750 MHz

Related Database Links:

PDB
DBJ BAO68634
EMBL CAE32504 CAE37856 CAE43042 CCJ49220 CCJ53426
GB AEE67977 AIW91550 AIW96536 AJB27190 ALH48601
REF NP_881371 WP_003812895 WP_015064092 WP_057688422 YP_006895834
SP Q7VVB1 Q7W7F8 Q7WKU6