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 16979

Title: Solution structure of Enzyme IIB subunit of PTS system from Escherichia coli K12. Northeast Structural Genomics Consortium target ER315/Ontario Center for Structural Proteomics target ec0544

Deposition date: 2010-06-07 Original release date: 2010-06-24

Authors: Wu, Bin; Yee, Adelinda; Gutmanas, Aleksandras; Semest, Anthony; Arrowsmith, Cheryl

Citation: Wu, Bin; Yee, Adelinda; Gutmanas, Aleksandras; Semest, Anthony; Arrowsmith, Cheryl. "Solution structure of Enzyme IIB subunit of PTS system from Escherichia coli K12. Northeast Structural Genomics Consortium target ER315/Ontario Center for Structural Proteomics target ec0544"  Not known ., .-..

Assembly members:
ec0544, polymer, 108 residues, 11745.361 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):
ec0544: MSKKLIALCACPMGLAHTFM AAQALEEAAVEAGYEVKIET QGADGIQNRLTAQDIAEATI IIHSVAVTPEDNERFESRDV YEITLQDAIKNAAGIIKEIE EMIASEQQ

Data typeCount
13C chemical shifts452
15N chemical shifts115
1H chemical shifts762

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1ec05441

Entities:

Entity 1, ec0544 108 residues - 11745.361 Da.

1   METSERLYSLYSLEUILEALALEUCYSALA
2   CYSPROMETGLYLEUALAHISTHRPHEMET
3   ALAALAGLNALALEUGLUGLUALAALAVAL
4   GLUALAGLYTYRGLUVALLYSILEGLUTHR
5   GLNGLYALAASPGLYILEGLNASNARGLEU
6   THRALAGLNASPILEALAGLUALATHRILE
7   ILEILEHISSERVALALAVALTHRPROGLU
8   ASPASNGLUARGPHEGLUSERARGASPVAL
9   TYRGLUILETHRLEUGLNASPALAILELYS
10   ASNALAALAGLYILEILELYSGLUILEGLU
11   GLUMETILEALASERGLUGLNGLN

Samples:

sample_1: ec0544, [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; H2O 90%; D2O 10%

sample_2: ec0544, [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_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 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, 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
DBJ BAA16257 BAB36690 BAG78208 BAI26647 BAI31678
EMBL CAP76866 CAQ32775 CAQ88317 CAQ99295 CAR03856
GB AAC75446 AAG57513 AAN43961 AAN81376 AAP17772
REF NP_311294 NP_416888 NP_708254 WP_000038452 WP_000038453
SP P69808 P69809 P69810 Q821A9

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