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 16375

Title: Solution Structure of C-terminal domain of oxidized NleG2-3 (residue 90-191) from Pathogenic E. coli O157:H7. Northeast Structural Genomics Consortium and Midwest Center for Structural Genomics target ET109A

Deposition date: 2009-06-29 Original release date: 2009-09-15

Authors: Wu, Bin; Yee, Adelinda; Fares, Christophe; Lemak, Alexander; Semest, Anthony; Claude, Marie; Singer, Alexander; Edwards, Aled; Savchenko, Alexei; Arrowsmith, Cheryl

Citation: Wu, Bin; Yee, Adelinda; Fares, Christophe; Lemak, Alexander; Semest, Anthony; Claude, Marie; Coomes, Brian; Edwards, Aled; Singer, Alexander; Arrowsmith, Cheryl; Savchenko, Alexei. "Pathogenic E. coli O157:H7 NleG family of Type 3 secretion effectors features a common C-terminal U-box domain and E3 ubiquitin ligase activity"  Not known ., .-..

Assembly members:
NleG2-3, polymer, 102 residues, 11290.936 Da.

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Escherichia coli

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

Entity Sequences (FASTA):
NleG2-3: SQESIQNKISQCKFSVCPER LQCPLEAIQCPITLEQPEKG IFVKNSDGSDVCTLFDAAAF SRLVGEGLPHPLTREPITAS IIVKHEECIYDDTRGNFIIK GN

Data typeCount
13C chemical shifts432
15N chemical shifts104
1H chemical shifts721
residual dipolar couplings166

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1NleG2-31

Entities:

Entity 1, NleG2-3 102 residues - 11290.936 Da.

1   SERGLNGLUSERILEGLNASNLYSILESER
2   GLNCYSLYSPHESERVALCYSPROGLUARG
3   LEUGLNCYSPROLEUGLUALAILEGLNCYS
4   PROILETHRLEUGLUGLNPROGLULYSGLY
5   ILEPHEVALLYSASNSERASPGLYSERASP
6   VALCYSTHRLEUPHEASPALAALAALAPHE
7   SERARGLEUVALGLYGLUGLYLEUPROHIS
8   PROLEUTHRARGGLUPROILETHRALASER
9   ILEILEVALLYSHISGLUGLUCYSILETYR
10   ASPASPTHRARGGLYASNPHEILEILELYS
11   GLYASN

Samples:

sample_1: NleG, [U-100% 13C; U-100% 15N], 0.5 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; DTT 10 mM; benzamidine 1 mM; sodium azide 0.01%; H20 90%; D20 10%

sample_2: NleG, [U-7% 13C; U-100% 15N], 0.5 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; DTT 10 mM; benzamidine 1 mM; sodium azide 0.01%; H20 90%; D20 10%

sample_conditions_1: ionic strength: 300 mM; pH: 7.0; 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 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
3D IPAP-J HNCOsample_1isotropicsample_conditions_1

Software:

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

MDDGUI v1.0, Gutmanas and 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:

BMRB 16374
PDB
DBJ BAB35417 BAB35579 BAI25254 BAI35676
EMBL CTT86631 CTZ63346 CTZ65248 CTZ72681 CTZ98837
GB AAG56215 AAG56388 ACI35420 ACT71854 ADD56326
REF NP_310021 NP_310183 WP_001131656 WP_001131657 WP_001131658

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