warning: failed to read freetag - ' _nef_spectrum_dimension\.is_acquisition'
warning: failed to read freetag - ' _nef_peak\.atom_name_3'
warning: failed to read freetag - ' _nef_spectrum_dimension\.is_acquisition'
warning: failed to read freetag - ' _nef_peak\.atom_name_3'
warning: failed to read freetag - ' _nef_spectrum_dimension\.is_acquisition'
warning: failed to read freetag - ' _nef_peak\.atom_name_3'
warning: failed to read freetag - ' _nef_spectrum_dimension\.is_acquisition'
warning: failed to read freetag - ' _nef_peak\.atom_name_2'
BMRB Entry 51027 BMRB - Biological Magnetic Resonance Bank

BMRB Entry 51027

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51027

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
E14Q-EmrE drug free, low pH
Deposition date:
2021-07-23
Original release date:
2022-06-08
Authors:
Tonelli, Marco; Thomas, Nathan; Spreacker, Peyton; Henzler-Wildman, Katherine
Citation:

Citation: Spreacker, Peyton; Thomas, Nathan; Beeninga, Will; Brousseau, Merissa; Porter, Colin; Hibbs, Kylie; Henzler-Wildman, Katherine. "Activating alternative transport modes in a multidrug resistance efflux pump to confer chemical susceptibility"  Nat. Commun. 13, 7655-7655 (2022).
PubMed: 36496486

Assembly members:

Assembly members:
entity_1, polymer, 110 residues, 11910 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MNPYIYLGGAILAQVIGTTL MKFSEGFTRLWPSVGTIICY CASFWLLAQTLAYIPTGIAY AIWSGVGIVLISLLSWGFFG QRLDLPAIIGMMLICAGVLI INLLSRSTPH

Data typeCount
13C chemical shifts291
15N chemical shifts153
1H chemical shifts153

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1E14Q-EmrE, Chain A1
2E14Q-EmrE, Chain B1

Entities:

Entity 1, E14Q-EmrE, Chain A 110 residues - 11910 Da.

1   METASNPROTYRILETYRLEUGLYGLYALA
2   ILELEUALAGLNVALILEGLYTHRTHRLEU
3   METLYSPHESERGLUGLYPHETHRARGLEU
4   TRPPROSERVALGLYTHRILEILECYSTYR
5   CYSALASERPHETRPLEULEUALAGLNTHR
6   LEUALATYRILEPROTHRGLYILEALATYR
7   ALAILETRPSERGLYVALGLYILEVALLEU
8   ILESERLEULEUSERTRPGLYPHEPHEGLY
9   GLNARGLEUASPLEUPROALAILEILEGLY
10   METMETLEUILECYSALAGLYVALLEUILE
11   ILEASNLEULEUSERARGSERTHRPROHIS

Samples:

sample_1: E14Q-EmrE, [U-100% 13C; U-100% 15N; U-80% 2H], 0.6 mM; MES 50 mM; sodium chloride 20 mM; TCEP 2 mM; sodium azide 0.05%; D2O, [U-100% 2H], 10%; DHPC 240 mM; DMPC 80 mM; DSS 1%

sample_conditions_1: ionic strength: 0.02 M; pH: 5.8; pressure: 1 atm; temperature: 318 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCOCAsample_1isotropicsample_conditions_1

Software:

CcpNMR v2.4 - chemical shift assignment, spectrum analysis, spectrum display

NMRPipe - spectrum processing

NMR spectrometers:

  • Bruker Avance III HD VNMRS/VnmrJ 900 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks