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 16594

Title: Solution structure of DnaK suppressor protein from Agrobacterium tumefaciens C58. Northeast Structural Genomics Consortium target AtT12/Ontario Center for Structural Proteomics Target atc0888

Deposition date: 2009-11-02 Original release date: 2009-11-24

Authors: Wu, Bin; Yee, Adelinda; Fares, Christopher; Lemak, Alexander; Semest, Anthony; Arrowsmith, Cheryl

Citation: Wu, Bin; Yee, Adelinda; Fares, Christopher; Lemak, Alexander; Semest, Anthony; Arrowsmith, Cheryl. "Solution Structure of DnaK protein from Agrobacterium tumefaciens C58. Northeast Structural Genomics Consortium target AtT12/Ontario Center for Structural Proteomics Target atc0888"  Not known ., .-..

Assembly members:
atc0888, polymer, 112 residues, 12636.203 Da.
ZN, non-polymer, 65.409 Da.

Natural source:   Common Name: Agrobacterium tumefaciens C58   Taxonomy ID: 176299   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Agrobacterium not available

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

Entity Sequences (FASTA):
atc0888: LAGGKSMNVESYEKILRDRQ RELYRRLHKIEADFEEPRNP DDEDRASERSNDEVLDELGQ VGQDELRAIDAALARIASGT FGTCVKCGKRISEDRLKAVP YTPFCQECAAAL

Data typeCount
13C chemical shifts457
15N chemical shifts110
1H chemical shifts753

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1atc08881
2Zinc ion2

Entities:

Entity 1, atc0888 112 residues - 12636.203 Da.

1   LEUALAGLYGLYLYSSERMETASNVALGLU
2   SERTYRGLULYSILELEUARGASPARGGLN
3   ARGGLULEUTYRARGARGLEUHISLYSILE
4   GLUALAASPPHEGLUGLUPROARGASNPRO
5   ASPASPGLUASPARGALASERGLUARGSER
6   ASNASPGLUVALLEUASPGLULEUGLYGLN
7   VALGLYGLNASPGLULEUARGALAILEASP
8   ALAALALEUALAARGILEALASERGLYTHR
9   PHEGLYTHRCYSVALLYSCYSGLYLYSARG
10   ILESERGLUASPARGLEULYSALAVALPRO
11   TYRTHRPROPHECYSGLNGLUCYSALAALA
12   ALALEU

Entity 2, Zinc ion - Zn - 65.409 Da.

1   ZN

Samples:

sample_2: atc0888, [U-7% 13C; U-100% 15N], 0.5 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; zinc sulphate 10 uM; DTT, [U-100% 2H], 10 mM; benzamidine 10 mM; inhibitor cocktail 1 x; H2O 90%; D2O 10%

sample_1: atc0888, [U-100% 13C; U-100% 15N], 0.5 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; zinc sulphate 10 uM; DTT, [U-100% 2H], 10 mM; benzamidine 10 mM; inhibitor cocktail 1 x; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 300 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

MDDGUI v1.0, Gutmanas Arrowsmith - processing

SPARKY v3.95, Goddard - data analysis, peak picking

FAWN v1.0, Lemak and Arrowsmith - chemical shift assignment

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

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

AutoStruct, Huang, Tejero, Powers and Montelione - NMR structure quality assessment

PSVS, Bhattacharya and Montelione - NMR structure quality assessment

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

PDB
GB AAL41919 EGL61749 EHH03169 EMS97089 EPR08161
REF NP_528818 WP_003509276 WP_003522285 WP_006316614 WP_010971243

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